3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol

C13H28N2O — CID 64898727

IUPAC3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol
SMILESCC(N)C(CO)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-10(14)12(9-16)15-7-5-11(6-8-15)13(2,3)4/h10-12,16H,5-9,14H2,1-4H3
InChIKeyWXPLHEDGTKBDRO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.45
Rot. Bonds3

About 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol

3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol (PubChem CID 64898727) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol
PubChem CID64898727
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol
SMILESCC(N)C(CO)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-10(14)12(9-16)15-7-5-11(6-8-15)13(2,3)4/h10-12,16H,5-9,14H2,1-4H3
InChIKeyWXPLHEDGTKBDRO-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol
CID 104840411
3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine
CID 62089682
3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64899600
2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol
CID 104550501
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62413694
N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695
4-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 62411940
3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103495144
3-amino-2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-ol
CID 114271794
4-amino-3-(4-tert-butylpiperidin-1-yl)butanamide
CID 66426477
3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol
CID 114356855
N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
CID 62569931

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol (CID 64898727) is 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol is CC(N)C(CO)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol?
The InChIKey is WXPLHEDGTKBDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(14)12(9-16)15-7-5-11(6-8-15)13(2,3)4/h10-12,16H,5-9,14H2,1-4H3.
What are the key properties of 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol?
3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 64898727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).