N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine

C24H34N2O2 — CID 90999520

IUPACN-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine
SMILESCCCCNCC1(c2cccc(OC)c2)CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H34N2O2/c1-4-5-15-25-19-24(20-9-8-10-21(18-20)27-2)13-16-26(17-14-24)22-11-6-7-12-23(22)28-3/h6-12,18,25H,4-5,13-17,19H2,1-3H3
InChIKeyXXCQKFSAOGUYPU-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.63
Rot. Bonds9

About N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine

N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine (PubChem CID 90999520) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine
PubChem CID90999520
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine
SMILESCCCCNCC1(c2cccc(OC)c2)CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H34N2O2/c1-4-5-15-25-19-24(20-9-8-10-21(18-20)27-2)13-16-26(17-14-24)22-11-6-7-12-23(22)28-3/h6-12,18,25H,4-5,13-17,19H2,1-3H3
InChIKeyXXCQKFSAOGUYPU-UHFFFAOYSA-N
XLogP4.63
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]ethanamine
CID 23133885
1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine
CID 23133870
N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepan-4-yl]methyl]benzamide
CID 58851192
sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate
CID 87741441
1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[[1-(2-butoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]urea;dihydrochloride
CID 44590664
1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(triazol-1-ylmethyl)azepane
CID 58851195
N-ethyl-1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepane-4-carboxamide
CID 58851187
1-[3-amino-2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]urea
CID 44590614
1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 23160979
N-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidine-4-carbonyl]sulfamate;hydrochloride
CID 23161186
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine (CID 90999520) is N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine is CCCCNCC1(c2cccc(OC)c2)CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine?
The InChIKey is XXCQKFSAOGUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-4-5-15-25-19-24(20-9-8-10-21(18-20)27-2)13-16-26(17-14-24)22-11-6-7-12-23(22)28-3/h6-12,18,25H,4-5,13-17,19H2,1-3H3.
What are the key properties of N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine?
N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine has a molecular weight of 382.55 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 90999520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).