(3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine

C24H34N2O5 — CID 125493457

IUPAC(3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)[C@@H]2CCNC[C@@H]2OC)c(OC)c1
InChIInChI=1S/C24H34N2O5/c1-27-19-8-6-17(22(12-19)29-3)15-26(21-10-11-25-14-24(21)31-5)16-18-7-9-20(28-2)13-23(18)30-4/h6-9,12-13,21,24-25H,10-11,14-16H2,1-5H3/t21-,24+/m1/s1
InChIKeySTPFLNVUQQPWII-QPPBQGQZSA-N
MW430.55 g/mol
LogP3.10
Rot. Bonds10

About (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine

(3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine (PubChem CID 125493457) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine
PubChem CID125493457
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name(3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)[C@@H]2CCNC[C@@H]2OC)c(OC)c1
InChIInChI=1S/C24H34N2O5/c1-27-19-8-6-17(22(12-19)29-3)15-26(21-10-11-25-14-24(21)31-5)16-18-7-9-20(28-2)13-23(18)30-4/h6-9,12-13,21,24-25H,10-11,14-16H2,1-5H3/t21-,24+/m1/s1
InChIKeySTPFLNVUQQPWII-QPPBQGQZSA-N
XLogP3.10
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
CID 175393000
5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
CID 105459503
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine?
The IUPAC name of (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine (CID 125493457) is (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine?
The canonical SMILES for (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine is COc1ccc(CN(Cc2ccc(OC)cc2OC)[C@@H]2CCNC[C@@H]2OC)c(OC)c1.
What is the InChIKey of (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine?
The InChIKey is STPFLNVUQQPWII-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-27-19-8-6-17(22(12-19)29-3)15-26(21-10-11-25-14-24(21)31-5)16-18-7-9-20(28-2)13-23(18)30-4/h6-9,12-13,21,24-25H,10-11,14-16H2,1-5H3/t21-,24+/m1/s1.
What are the key properties of (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine?
(3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine has a molecular weight of 430.55 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 125493457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).