N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine

C16H27N3 — CID 55174076

IUPACN-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CCc2ccncc2)C1
InChIInChI=1S/C16H27N3/c1-14(2)18-12-16-4-3-10-19(13-16)11-7-15-5-8-17-9-6-15/h5-6,8-9,14,16,18H,3-4,7,10-13H2,1-2H3
InChIKeyGHQBEEAPHXNNHS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.33
Rot. Bonds6

About N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 55174076) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID55174076
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CCc2ccncc2)C1
InChIInChI=1S/C16H27N3/c1-14(2)18-12-16-4-3-10-19(13-16)11-7-15-5-8-17-9-6-15/h5-6,8-9,14,16,18H,3-4,7,10-13H2,1-2H3
InChIKeyGHQBEEAPHXNNHS-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 62580625
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42100663

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine (CID 55174076) is N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(CCc2ccncc2)C1.
What is the InChIKey of N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is GHQBEEAPHXNNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)18-12-16-4-3-10-19(13-16)11-7-15-5-8-17-9-6-15/h5-6,8-9,14,16,18H,3-4,7,10-13H2,1-2H3.
What are the key properties of N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55174076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).