(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

C18H29N3O — CID 94183925

IUPAC(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cccc(N2CCN(C[C@H](O)CN3CCCC3)CC2)c1
InChIInChI=1S/C18H29N3O/c1-16-5-4-6-17(13-16)21-11-9-20(10-12-21)15-18(22)14-19-7-2-3-8-19/h4-6,13,18,22H,2-3,7-12,14-15H2,1H3/t18-/m1/s1
InChIKeyTVMQKEZTPLDDJB-GOSISDBHSA-N
MW303.45 g/mol
LogP1.57
Rot. Bonds5

About (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 94183925) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID94183925
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cccc(N2CCN(C[C@H](O)CN3CCCC3)CC2)c1
InChIInChI=1S/C18H29N3O/c1-16-5-4-6-17(13-16)21-11-9-20(10-12-21)15-18(22)14-19-7-2-3-8-19/h4-6,13,18,22H,2-3,7-12,14-15H2,1H3/t18-/m1/s1
InChIKeyTVMQKEZTPLDDJB-GOSISDBHSA-N
XLogP1.57
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
CID 62044767
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
CID 63618670
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
CID 55135742
1-(3-methylphenyl)piperidine;propane
CID 143942273
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
methyl 2-bromo-3-[4-(3-methylphenyl)piperazin-1-yl]propanoate
CID 81100689
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
CID 104681774
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (CID 94183925) is (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is Cc1cccc(N2CCN(C[C@H](O)CN3CCCC3)CC2)c1.
What is the InChIKey of (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is TVMQKEZTPLDDJB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N3O/c1-16-5-4-6-17(13-16)21-11-9-20(10-12-21)15-18(22)14-19-7-2-3-8-19/h4-6,13,18,22H,2-3,7-12,14-15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 303.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 94183925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).