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

C16H27N3 — CID 63848353

IUPACN-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1CCc1cccnc1
InChIInChI=1S/C16H27N3/c1-14(2)18-13-16-7-3-4-10-19(16)11-8-15-6-5-9-17-12-15/h5-6,9,12,14,16,18H,3-4,7-8,10-11,13H2,1-2H3
InChIKeyGZGRMKDMAZSXPK-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.48
Rot. Bonds6

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

N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 63848353) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID63848353
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1CCc1cccnc1
InChIInChI=1S/C16H27N3/c1-14(2)18-13-16-7-3-4-10-19(16)11-8-15-6-5-9-17-12-15/h5-6,9,12,14,16,18H,3-4,7-8,10-11,13H2,1-2H3
InChIKeyGZGRMKDMAZSXPK-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844
3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine
CID 59085007
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 124742750
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine (CID 63848353) is N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCCN1CCc1cccnc1.
What is the InChIKey of N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is GZGRMKDMAZSXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)18-13-16-7-3-4-10-19(16)11-8-15-6-5-9-17-12-15/h5-6,9,12,14,16,18H,3-4,7-8,10-11,13H2,1-2H3.
What are the key properties of N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.48, 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-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63848353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).