[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine

C16H27N3 — CID 62895524

IUPAC[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCC(C)(C)C1CCN(Cc2cccnc2CN)CC1
InChIInChI=1S/C16H27N3/c1-16(2,3)14-6-9-19(10-7-14)12-13-5-4-8-18-15(13)11-17/h4-5,8,14H,6-7,9-12,17H2,1-3H3
InChIKeyOCDVCKZMWVEDTJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.80
Rot. Bonds3

About [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine

[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 62895524) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID62895524
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCC(C)(C)C1CCN(Cc2cccnc2CN)CC1
InChIInChI=1S/C16H27N3/c1-16(2,3)14-6-9-19(10-7-14)12-13-5-4-8-18-15(13)11-17/h4-5,8,14H,6-7,9-12,17H2,1-3H3
InChIKeyOCDVCKZMWVEDTJ-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
CID 62888575
[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62091604
1-[1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62893815
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113344
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 102956575
2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine
CID 104740262
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55133508
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55217914
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol
CID 82986532
[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205

Frequently Asked Questions

What is the IUPAC name of [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine (CID 62895524) is [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine is CC(C)(C)C1CCN(Cc2cccnc2CN)CC1.
What is the InChIKey of [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is OCDVCKZMWVEDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2,3)14-6-9-19(10-7-14)12-13-5-4-8-18-15(13)11-17/h4-5,8,14H,6-7,9-12,17H2,1-3H3.
What are the key properties of [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 62895524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).