1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

C14H28N2O — CID 54866671

IUPAC1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)16-7-4-13(5-8-16)15-10-12-6-9-17-11-12/h12-13,15H,4-11H2,1-3H3
InChIKeyZOOUZYPDOTYFNO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds3

About 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 54866671) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID54866671
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)16-7-4-13(5-8-16)15-10-12-6-9-17-11-12/h12-13,15H,4-11H2,1-3H3
InChIKeyZOOUZYPDOTYFNO-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43747736
N-(oxolan-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 43206664
tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
CID 120841561
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 107095247
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrrolidin-3-amine
CID 81328588
3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
CID 79461363
2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43207756

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (CID 54866671) is 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is CC(C)(C)N1CCC(NCC2CCOC2)CC1.
What is the InChIKey of 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is ZOOUZYPDOTYFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)16-7-4-13(5-8-16)15-10-12-6-9-17-11-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 54866671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).