1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine

C25H30N4 — CID 166245265

IUPAC1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCc1cc(CN(Cc2ccncc2)C2CCCN(Cc3ccccc3)C2)ccn1
InChIInChI=1S/C25H30N4/c1-21-16-24(11-14-27-21)19-29(18-23-9-12-26-13-10-23)25-8-5-15-28(20-25)17-22-6-3-2-4-7-22/h2-4,6-7,9-14,16,25H,5,8,15,17-20H2,1H3
InChIKeyPKMOWTIKSXJDLK-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.45
Rot. Bonds7

About 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine

1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine (PubChem CID 166245265) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
PubChem CID166245265
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCc1cc(CN(Cc2ccncc2)C2CCCN(Cc3ccccc3)C2)ccn1
InChIInChI=1S/C25H30N4/c1-21-16-24(11-14-27-21)19-29(18-23-9-12-26-13-10-23)25-8-5-15-28(20-25)17-22-6-3-2-4-7-22/h2-4,6-7,9-14,16,25H,5,8,15,17-20H2,1H3
InChIKeyPKMOWTIKSXJDLK-UHFFFAOYSA-N
XLogP4.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45173407
N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 50968510
N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45190430
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine
CID 133483749
(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 29088331
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
(3R)-N-benzyl-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 51635983
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine (CID 166245265) is 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine is Cc1cc(CN(Cc2ccncc2)C2CCCN(Cc3ccccc3)C2)ccn1.
What is the InChIKey of 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The InChIKey is PKMOWTIKSXJDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-21-16-24(11-14-27-21)19-29(18-23-9-12-26-13-10-23)25-8-5-15-28(20-25)17-22-6-3-2-4-7-22/h2-4,6-7,9-14,16,25H,5,8,15,17-20H2,1H3.
What are the key properties of 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine has a molecular weight of 386.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 166245265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).