(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol

C14H20ClNO — CID 170314593

IUPAC(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@H]1CC[C@H](C(O)c2cccc(Cl)c2)N1
InChIInChI=1S/C14H20ClNO/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3/t12-,13+,14?/m0/s1
InChIKeyDNTWXRXKYAJBKJ-WLDKUNSKSA-N
MW253.77 g/mol
LogP3.29
Rot. Bonds4

About (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol

(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol (PubChem CID 170314593) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
PubChem CID170314593
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@H]1CC[C@H](C(O)c2cccc(Cl)c2)N1
InChIInChI=1S/C14H20ClNO/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3/t12-,13+,14?/m0/s1
InChIKeyDNTWXRXKYAJBKJ-WLDKUNSKSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
[3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenyl] acetate
CID 138473439
(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride
CID 158363901
(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
CID 155126922
(R)-(4-fluorophenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138473465
(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 155074654
1-[5-[(3-chlorophenyl)-hydroxymethyl]-2-propanoylpyrrolidin-2-yl]propan-1-one
CID 70517621
4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol
CID 70060548

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol?
The IUPAC name of (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol (CID 170314593) is (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol is CCC[C@H]1CC[C@H](C(O)c2cccc(Cl)c2)N1.
What is the InChIKey of (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol?
The InChIKey is DNTWXRXKYAJBKJ-WLDKUNSKSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3/t12-,13+,14?/m0/s1.
What are the key properties of (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol?
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 170314593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).