1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol

C16H31N3O — CID 62996690

IUPAC1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESOC(CNC1CC1)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c20-16(11-17-15-3-4-15)13-19-9-5-14(6-10-19)12-18-7-1-2-8-18/h14-17,20H,1-13H2
InChIKeyFJMHIJUFVYPMPO-UHFFFAOYSA-N
MW281.44 g/mol
LogP0.91
Rot. Bonds7

About 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol

1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol (PubChem CID 62996690) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol
PubChem CID62996690
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESOC(CNC1CC1)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c20-16(11-17-15-3-4-15)13-19-9-5-14(6-10-19)12-18-7-1-2-8-18/h14-17,20H,1-13H2
InChIKeyFJMHIJUFVYPMPO-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
1-(3-azaspiro[5.5]undecan-3-yl)-3-(cyclopropylamino)propan-2-ol
CID 62937041
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
(2S)-1-(cyclopropylamino)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 124550924
(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 124669128
1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 64909797

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol (CID 62996690) is 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol is OC(CNC1CC1)CN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is FJMHIJUFVYPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c20-16(11-17-15-3-4-15)13-19-9-5-14(6-10-19)12-18-7-1-2-8-18/h14-17,20H,1-13H2.
What are the key properties of 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol?
1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 281.44 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 62996690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).