N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine

C20H27N3O — CID 89100460

IUPACN-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine
SMILESCN(C)OCc1ccc(C2CCCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C20H27N3O/c1-22(2)24-16-18-10-11-20(21-13-18)19-9-6-12-23(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-2H3
InChIKeyOAYRHBARQPRDJF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.45
Rot. Bonds6

About N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine

N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine (PubChem CID 89100460) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine
PubChem CID89100460
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine
SMILESCN(C)OCc1ccc(C2CCCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C20H27N3O/c1-22(2)24-16-18-10-11-20(21-13-18)19-9-6-12-23(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-2H3
InChIKeyOAYRHBARQPRDJF-UHFFFAOYSA-N
XLogP3.45
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpiperidin-3-yl)-5-(piperidin-1-ylmethyl)pyridine
CID 172524114
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 125027075
[4-[6-(1-benzylpiperidin-3-yl)-2-pyridinyl]phenyl]methanol
CID 110249251
4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 100748585
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77085937
1-benzyl-3-methylpiperidine
CID 2794856
2-[(3R)-1-benzylpiperidin-3-yl]-1,3-benzothiazole
CID 9388635
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine?
The IUPAC name of N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine (CID 89100460) is N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine.
What is the SMILES notation for N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine?
The canonical SMILES for N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine is CN(C)OCc1ccc(C2CCCN(Cc3ccccc3)C2)nc1.
What is the InChIKey of N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine?
The InChIKey is OAYRHBARQPRDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22(2)24-16-18-10-11-20(21-13-18)19-9-6-12-23(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-2H3.
What are the key properties of N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine?
N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine has a molecular weight of 325.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine is sourced from PubChem (CID 89100460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).