(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol

C16H22ClNO2 — CID 23587608

IUPAC(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c17-14-3-1-12(2-4-14)9-13-5-7-18(8-6-13)15-10-20-11-16(15)19/h1-4,13,15-16,19H,5-11H2/t15-,16-/m0/s1
InChIKeyBGKXORBNYPNIKB-HOTGVXAUSA-N
MW295.81 g/mol
LogP2.35
Rot. Bonds3

About (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol

(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol (PubChem CID 23587608) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol
PubChem CID23587608
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c17-14-3-1-12(2-4-14)9-13-5-7-18(8-6-13)15-10-20-11-16(15)19/h1-4,13,15-16,19H,5-11H2/t15-,16-/m0/s1
InChIKeyBGKXORBNYPNIKB-HOTGVXAUSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
CID 23587488
[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879762
1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine
CID 58607056
2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587593
3,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587601
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
3-(4-benzylpiperidin-1-yl)oxan-4-amine
CID 43608816
1-[(2-chlorophenyl)methyl]-3-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]urea
CID 22266289
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea
CID 23587527
4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 22266311
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide
CID 22266355

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol (CID 23587608) is (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol is O[C@H]1COC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol?
The InChIKey is BGKXORBNYPNIKB-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-14-3-1-12(2-4-14)9-13-5-7-18(8-6-13)15-10-20-11-16(15)19/h1-4,13,15-16,19H,5-11H2/t15-,16-/m0/s1.
What are the key properties of (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol?
(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol has a molecular weight of 295.81 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol is sourced from PubChem (CID 23587608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).