(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

C17H32N2O — CID 87053309

IUPAC(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(CC2CCCCC2)C[C@H]1N1CCCC1
InChIInChI=1S/C17H32N2O/c1-17(20)9-12-18(13-15-7-3-2-4-8-15)14-16(17)19-10-5-6-11-19/h15-16,20H,2-14H2,1H3/t16-,17-/m1/s1
InChIKeyQQWHXWPRORGAJQ-IAGOWNOFSA-N
MW280.46 g/mol
LogP2.49
Rot. Bonds3

About (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 87053309) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID87053309
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(CC2CCCCC2)C[C@H]1N1CCCC1
InChIInChI=1S/C17H32N2O/c1-17(20)9-12-18(13-15-7-3-2-4-8-15)14-16(17)19-10-5-6-11-19/h15-16,20H,2-14H2,1H3/t16-,17-/m1/s1
InChIKeyQQWHXWPRORGAJQ-IAGOWNOFSA-N
XLogP2.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 87053295
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156602377
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
4-[(4-hydroxy-4-methyl-3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzonitrile
CID 156601738
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
1,3-bis(cyclohexylmethyl)piperidine
CID 163123871
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
2-(cyclobutylmethyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925982
(1S,2S,4R)-2-(azepan-1-yl)-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 15906521
(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 86283593
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (CID 87053309) is (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is C[C@@]1(O)CCN(CC2CCCCC2)C[C@H]1N1CCCC1.
What is the InChIKey of (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is QQWHXWPRORGAJQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(20)9-12-18(13-15-7-3-2-4-8-15)14-16(17)19-10-5-6-11-19/h15-16,20H,2-14H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 280.46 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 87053309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).