[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine

C17H28N4 — CID 63887071

IUPAC[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(CN2CCC(N3CCCCC3)CC2)ccn1
InChIInChI=1S/C17H28N4/c18-13-16-12-15(4-7-19-16)14-20-10-5-17(6-11-20)21-8-2-1-3-9-21/h4,7,12,17H,1-3,5-6,8-11,13-14,18H2
InChIKeyWYZHBQVYJGEFTN-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.99
Rot. Bonds4

About [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine

[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 63887071) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID63887071
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(CN2CCC(N3CCCCC3)CC2)ccn1
InChIInChI=1S/C17H28N4/c18-13-16-12-15(4-7-19-16)14-20-10-5-17(6-11-20)21-8-2-1-3-9-21/h4,7,12,17H,1-3,5-6,8-11,13-14,18H2
InChIKeyWYZHBQVYJGEFTN-UHFFFAOYSA-N
XLogP1.99
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine with MolForge

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Related Compounds

4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885544
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882044
[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888635
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
CID 79930626
1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 63889418
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63888264

Frequently Asked Questions

What is the IUPAC name of [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine (CID 63887071) is [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine is NCc1cc(CN2CCC(N3CCCCC3)CC2)ccn1.
What is the InChIKey of [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is WYZHBQVYJGEFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c18-13-16-12-15(4-7-19-16)14-20-10-5-17(6-11-20)21-8-2-1-3-9-21/h4,7,12,17H,1-3,5-6,8-11,13-14,18H2.
What are the key properties of [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63887071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).