3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine

C66H146N14O2 — CID 159826327

IUPAC3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine
SMILESCC(C)(C)N1CCC(O)C(N)C1.CC(C)(C)N1CCCC(N)C1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(N)C1O
InChIInChI=1S/C10H22N2O.2C10H22N2.C9H20N2O.3C9H20N2/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;2*1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-5-4-8(12)7(10)6-11;3*1-9(2,3)11-6-4-5-8(10)7-11/h7-9,13H,5-6,11H2,1-4H3;2*8-9H,5-7,11H2,1-4H3;7-8,12H,4-6,10H2,1-3H3;3*8H,4-7,10H2,1-3H3/t;;;;2*8-;/m....10./s1
InChIKeyNMWOLCSBJRRSPX-HHOUHXAASA-N
MW1167.99 g/mol
LogP7.14
Rot. Bonds

About 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine

3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine (PubChem CID 159826327) has the molecular formula C66H146N14O2 and a molecular weight of 1167.99 g/mol. Its IUPAC name is 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine.

Molecular Properties

Compound Name3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine
PubChem CID159826327
Molecular FormulaC66H146N14O2
Molecular Weight1167.99 g/mol
Exact Mass1167.18
IUPAC Name3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine
SMILESCC(C)(C)N1CCC(O)C(N)C1.CC(C)(C)N1CCCC(N)C1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(N)C1O
InChIInChI=1S/C10H22N2O.2C10H22N2.C9H20N2O.3C9H20N2/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;2*1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-5-4-8(12)7(10)6-11;3*1-9(2,3)11-6-4-5-8(10)7-11/h7-9,13H,5-6,11H2,1-4H3;2*8-9H,5-7,11H2,1-4H3;7-8,12H,4-6,10H2,1-3H3;3*8H,4-7,10H2,1-3H3/t;;;;2*8-;/m....10./s1
InChIKeyNMWOLCSBJRRSPX-HHOUHXAASA-N
XLogP7.14
TPSA245.28 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001167.99
LogP ≤ 57.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine?
The IUPAC name of 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine (CID 159826327) is 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine.
What is the SMILES notation for 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine?
The canonical SMILES for 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine is CC(C)(C)N1CCC(O)C(N)C1.CC(C)(C)N1CCCC(N)C1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(N)C1O.
What is the InChIKey of 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine?
The InChIKey is NMWOLCSBJRRSPX-HHOUHXAASA-N. The full InChI is InChI=1S/C10H22N2O.2C10H22N2.C9H20N2O.3C9H20N2/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;2*1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-5-4-8(12)7(10)6-11;3*1-9(2,3)11-6-4-5-8(10)7-11/h7-9,13H,5-6,11H2,1-4H3;2*8-9H,5-7,11H2,1-4H3;7-8,12H,4-6,10H2,1-3H3;3*8H,4-7,10H2,1-3H3/t;;;;2*8-;/m....10./s1.
What are the key properties of 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine?
3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine has a molecular weight of 1167.99 g/mol, XLogP of 7.14, 0 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine is sourced from PubChem (CID 159826327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).