1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol

C14H18N2O — CID 62942831

IUPAC1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
SMILESNCC#Cc1ccc(CN2CCC(O)C2)cc1
InChIInChI=1S/C14H18N2O/c15-8-1-2-12-3-5-13(6-4-12)10-16-9-7-14(17)11-16/h3-6,14,17H,7-11,15H2
InChIKeyDRPCLBVEKPWELJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.56
Rot. Bonds2

About 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol

1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 62942831) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID62942831
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
SMILESNCC#Cc1ccc(CN2CCC(O)C2)cc1
InChIInChI=1S/C14H18N2O/c15-8-1-2-12-3-5-13(6-4-12)10-16-9-7-14(17)11-16/h3-6,14,17H,7-11,15H2
InChIKeyDRPCLBVEKPWELJ-UHFFFAOYSA-N
XLogP0.56
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964523
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol
CID 54970174
3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 62091793
1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 62942640
3-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 79184556
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
3-[4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 103537557
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol
CID 114681113

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol (CID 62942831) is 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol is NCC#Cc1ccc(CN2CCC(O)C2)cc1.
What is the InChIKey of 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is DRPCLBVEKPWELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-8-1-2-12-3-5-13(6-4-12)10-16-9-7-14(17)11-16/h3-6,14,17H,7-11,15H2.
What are the key properties of 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol?
1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 230.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).