[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol

C18H28ClN3O — CID 131905298

IUPAC[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C18H28ClN3O/c19-17-3-1-4-18(13-17)22-11-9-20(10-12-22)6-2-7-21-8-5-16(14-21)15-23/h1,3-4,13,16,23H,2,5-12,14-15H2
InChIKeyZFUFFKNYLMOJJB-UHFFFAOYSA-N
MW337.89 g/mol
LogP2.17
Rot. Bonds6

About [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol

[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol (PubChem CID 131905298) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
PubChem CID131905298
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C18H28ClN3O/c19-17-3-1-4-18(13-17)22-11-9-20(10-12-22)6-2-7-21-8-5-16(14-21)15-23/h1,3-4,13,16,23H,2,5-12,14-15H2
InChIKeyZFUFFKNYLMOJJB-UHFFFAOYSA-N
XLogP2.17
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol
CID 70730770
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 10571609
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
(7aS)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 990015
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624887
[(1S,2S,4R)-7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanol
CID 165421865
[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 53211509
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol (CID 131905298) is [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol is OCC1CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol?
The InChIKey is ZFUFFKNYLMOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c19-17-3-1-4-18(13-17)22-11-9-20(10-12-22)6-2-7-21-8-5-16(14-21)15-23/h1,3-4,13,16,23H,2,5-12,14-15H2.
What are the key properties of [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol?
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol has a molecular weight of 337.89 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 131905298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).