N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine

C18H23N3 — CID 103782068

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
SMILESCc1cccnc1CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3/c1-15-6-5-11-19-18(15)14-20-16-9-12-21(13-10-16)17-7-3-2-4-8-17/h2-8,11,16,20H,9-10,12-14H2,1H3
InChIKeyXGMUBHYQHZKOAO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.15
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine

N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine (PubChem CID 103782068) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
PubChem CID103782068
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
SMILESCc1cccnc1CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3/c1-15-6-5-11-19-18(15)14-20-16-9-12-21(13-10-16)17-7-3-2-4-8-17/h2-8,11,16,20H,9-10,12-14H2,1H3
InChIKeyXGMUBHYQHZKOAO-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
1-(3-methylbut-2-enyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine
CID 63306097
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine (CID 103782068) is N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine is Cc1cccnc1CNC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine?
The InChIKey is XGMUBHYQHZKOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15-6-5-11-19-18(15)14-20-16-9-12-21(13-10-16)17-7-3-2-4-8-17/h2-8,11,16,20H,9-10,12-14H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine?
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103782068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).