N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine

C15H23N3 — CID 62582223

IUPACN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCCC(CNC3CC3)C2)ccn1
InChIInChI=1S/C15H23N3/c1-2-14(10-17-15-3-4-15)12-18(9-1)11-13-5-7-16-8-6-13/h5-8,14-15,17H,1-4,9-12H2
InChIKeyWTAXPKKBUBQBJP-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.05
Rot. Bonds5

About N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 62582223) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID62582223
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCCC(CNC3CC3)C2)ccn1
InChIInChI=1S/C15H23N3/c1-2-14(10-17-15-3-4-15)12-18(9-1)11-13-5-7-16-8-6-13/h5-8,14-15,17H,1-4,9-12H2
InChIKeyWTAXPKKBUBQBJP-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63847429
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]pyridine
CID 80690340
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 45210494
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582065
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine (CID 62582223) is N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine is c1cc(CN2CCCC(CNC3CC3)C2)ccn1.
What is the InChIKey of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is WTAXPKKBUBQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-14(10-17-15-3-4-15)12-18(9-1)11-13-5-7-16-8-6-13/h5-8,14-15,17H,1-4,9-12H2.
What are the key properties of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 245.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62582223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).