[1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol

C15H22N2O — CID 83870823

IUPAC[1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CC1NC1CC1
InChIInChI=1S/C15H22N2O/c18-11-13-9-17(8-12-4-2-1-3-5-12)10-15(13)16-14-6-7-14/h1-5,13-16,18H,6-11H2
InChIKeyJYHGFSIXYGXFII-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.23
Rot. Bonds5

About [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol

[1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol (PubChem CID 83870823) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol
PubChem CID83870823
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CC1NC1CC1
InChIInChI=1S/C15H22N2O/c18-11-13-9-17(8-12-4-2-1-3-5-12)10-15(13)16-14-6-7-14/h1-5,13-16,18H,6-11H2
InChIKeyJYHGFSIXYGXFII-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]formamide
CID 130204042
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
4-[[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122033996
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
(3S,4S,5S)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70297572
(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70294835
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol (CID 83870823) is [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol is OCC1CN(Cc2ccccc2)CC1NC1CC1.
What is the InChIKey of [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol?
The InChIKey is JYHGFSIXYGXFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-11-13-9-17(8-12-4-2-1-3-5-12)10-15(13)16-14-6-7-14/h1-5,13-16,18H,6-11H2.
What are the key properties of [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol?
[1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 83870823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).