(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine

C19H25NO2 — CID 10017636

IUPAC(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
SMILESCOc1cccc([C@]2(C)CCN(Cc3ccco3)C[C@@H]2C)c1
InChIInChI=1S/C19H25NO2/c1-15-13-20(14-18-8-5-11-22-18)10-9-19(15,2)16-6-4-7-17(12-16)21-3/h4-8,11-12,15H,9-10,13-14H2,1-3H3/t15-,19+/m0/s1
InChIKeyBUPLQRCJUCSIJL-HNAYVOBHSA-N
MW299.41 g/mol
LogP4.09
Rot. Bonds4

About (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine

(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine (PubChem CID 10017636) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine.

Molecular Properties

Compound Name(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
PubChem CID10017636
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
SMILESCOc1cccc([C@]2(C)CCN(Cc3ccco3)C[C@@H]2C)c1
InChIInChI=1S/C19H25NO2/c1-15-13-20(14-18-8-5-11-22-18)10-9-19(15,2)16-6-4-7-17(12-16)21-3/h4-8,11-12,15H,9-10,13-14H2,1-3H3/t15-,19+/m0/s1
InChIKeyBUPLQRCJUCSIJL-HNAYVOBHSA-N
XLogP4.09
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
CID 18393824
(3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
CID 124813445
N,N-diethyl-6-(furan-2-ylmethyl)-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,7,8,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide;hydrochloride
CID 18936230
methyl 3-(1-benzyl-3,4-dimethylpiperidin-4-yl)benzoate
CID 22645405
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
[3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl] 2-aminobenzoate
CID 21017816
(3aR,7aR)-6-(furan-2-ylmethyl)-1-methylsulfonyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
CID 97381136
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 133141385
3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]-3,4-dimethylpiperidin-4-yl]benzoic acid
CID 66951291
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 16888256

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine?
The IUPAC name of (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine (CID 10017636) is (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine.
What is the SMILES notation for (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine?
The canonical SMILES for (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine is COc1cccc([C@]2(C)CCN(Cc3ccco3)C[C@@H]2C)c1.
What is the InChIKey of (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine?
The InChIKey is BUPLQRCJUCSIJL-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-13-20(14-18-8-5-11-22-18)10-9-19(15,2)16-6-4-7-17(12-16)21-3/h4-8,11-12,15H,9-10,13-14H2,1-3H3/t15-,19+/m0/s1.
What are the key properties of (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine?
(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine has a molecular weight of 299.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine is sourced from PubChem (CID 10017636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).