N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C16H27N3 — CID 62288369

IUPACN-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCCC1CCN(c2cc(CNC(C)C)ccn2)CC1
InChIInChI=1S/C16H27N3/c1-4-14-6-9-19(10-7-14)16-11-15(5-8-17-16)12-18-13(2)3/h5,8,11,13-14,18H,4,6-7,9-10,12H2,1-3H3
InChIKeyXTPVUXQGMBWZJX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds5

About N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 62288369) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID62288369
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCCC1CCN(c2cc(CNC(C)C)ccn2)CC1
InChIInChI=1S/C16H27N3/c1-4-14-6-9-19(10-7-14)16-11-15(5-8-17-16)12-18-13(2)3/h5,8,11,13-14,18H,4,6-7,9-10,12H2,1-3H3
InChIKeyXTPVUXQGMBWZJX-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 63169108
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
N-(1,3-benzodioxol-4-ylmethyl)-1-[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 163366697
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62283972
N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 79934229
1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119036262
1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119040414
(1S)-1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 100737963

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 62288369) is N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CCC1CCN(c2cc(CNC(C)C)ccn2)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is XTPVUXQGMBWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-14-6-9-19(10-7-14)16-11-15(5-8-17-16)12-18-13(2)3/h5,8,11,13-14,18H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62288369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).