(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol

C11H16N2O — CID 86329912

IUPAC(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
SMILESC[C@H](c1ccccn1)N1CC[C@H](O)C1
InChIInChI=1S/C11H16N2O/c1-9(11-4-2-3-6-12-11)13-7-5-10(14)8-13/h2-4,6,9-10,14H,5,7-8H2,1H3/t9-,10+/m1/s1
InChIKeyNWAXJZRBUAJSCV-ZJUUUORDSA-N
MW192.26 g/mol
LogP1.21
Rot. Bonds2

About (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol

(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol (PubChem CID 86329912) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
PubChem CID86329912
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
SMILESC[C@H](c1ccccn1)N1CC[C@H](O)C1
InChIInChI=1S/C11H16N2O/c1-9(11-4-2-3-6-12-11)13-7-5-10(14)8-13/h2-4,6,9-10,14H,5,7-8H2,1H3/t9-,10+/m1/s1
InChIKeyNWAXJZRBUAJSCV-ZJUUUORDSA-N
XLogP1.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760
[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 93096967
3-(1-pyridin-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490535
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]pyridazin-3-one
CID 129324198
N-cyclopropyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-sulfonamide
CID 75431530
2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine
CID 91126376
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 98232041
tert-butyl N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 99725150
(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
CID 111333775

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol (CID 86329912) is (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol is C[C@H](c1ccccn1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol?
The InChIKey is NWAXJZRBUAJSCV-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(11-4-2-3-6-12-11)13-7-5-10(14)8-13/h2-4,6,9-10,14H,5,7-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol?
(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol is sourced from PubChem (CID 86329912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).