(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

C17H31NO2 — CID 86283593

IUPAC(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(CC2CCCC2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C17H31NO2/c1-14-12-18(13-15-4-2-3-5-15)9-8-17(14,19)16-6-10-20-11-7-16/h14-16,19H,2-13H2,1H3/t14-,17+/m1/s1
InChIKeyIVNOQHUFTQFYHJ-PBHICJAKSA-N
MW281.44 g/mol
LogP2.68
Rot. Bonds3

About (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 86283593) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
PubChem CID86283593
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(CC2CCCC2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C17H31NO2/c1-14-12-18(13-15-4-2-3-5-15)9-8-17(14,19)16-6-10-20-11-7-16/h14-16,19H,2-13H2,1H3/t14-,17+/m1/s1
InChIKeyIVNOQHUFTQFYHJ-PBHICJAKSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 156603731
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidin-4-ol
CID 72837076
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72880822
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
CID 72847808
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
CID 70783509
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(2-phenylmethoxyethyl)piperidin-4-ol
CID 72869524
2-methyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130555054
N-(cyclohexylmethyl)-2-(4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 156603416
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 72878100
(3R,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72861837
(3R,4R)-3-methyl-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol
CID 70712878
2-[2-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 70762122

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (CID 86283593) is (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is C[C@@H]1CN(CC2CCCC2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is IVNOQHUFTQFYHJ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14-12-18(13-15-4-2-3-5-15)9-8-17(14,19)16-6-10-20-11-7-16/h14-16,19H,2-13H2,1H3/t14-,17+/m1/s1.
What are the key properties of (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 281.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 86283593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).