(3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol

C19H30N2O2 — CID 70747676

IUPAC(3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol
SMILESCOc1ccccc1N1CCC(N2CC[C@](C)(O)[C@H](C)C2)CC1
InChIInChI=1S/C19H30N2O2/c1-15-14-21(13-10-19(15,2)22)16-8-11-20(12-9-16)17-6-4-5-7-18(17)23-3/h4-7,15-16,22H,8-14H2,1-3H3/t15-,19+/m1/s1
InChIKeySOQXQXBGKHRIQP-BEFAXECRSA-N
MW318.46 g/mol
LogP2.76
Rot. Bonds3

About (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol

(3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol (PubChem CID 70747676) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol
PubChem CID70747676
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol
SMILESCOc1ccccc1N1CCC(N2CC[C@](C)(O)[C@H](C)C2)CC1
InChIInChI=1S/C19H30N2O2/c1-15-14-21(13-10-19(15,2)22)16-8-11-20(12-9-16)17-6-4-5-7-18(17)23-3/h4-7,15-16,22H,8-14H2,1-3H3/t15-,19+/m1/s1
InChIKeySOQXQXBGKHRIQP-BEFAXECRSA-N
XLogP2.76
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
N-cyclopropyl-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazine-2-carboxamide
CID 56886484
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
CID 57317137
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol (CID 70747676) is (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol is COc1ccccc1N1CCC(N2CC[C@](C)(O)[C@H](C)C2)CC1.
What is the InChIKey of (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol?
The InChIKey is SOQXQXBGKHRIQP-BEFAXECRSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-14-21(13-10-19(15,2)22)16-8-11-20(12-9-16)17-6-4-5-7-18(17)23-3/h4-7,15-16,22H,8-14H2,1-3H3/t15-,19+/m1/s1.
What are the key properties of (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol has a molecular weight of 318.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 70747676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).