(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol

C16H26N2O — CID 95345707

IUPAC(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@H](c1ccccc1)N1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C16H26N2O/c1-3-16(15-7-5-4-6-8-15)18-11-9-17(10-12-18)13-14(2)19/h4-8,14,16,19H,3,9-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyMBBVDJWQELJRDY-GOEBONIOSA-N
MW262.40 g/mol
LogP2.14
Rot. Bonds5

About (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol

(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol (PubChem CID 95345707) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol
PubChem CID95345707
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@H](c1ccccc1)N1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C16H26N2O/c1-3-16(15-7-5-4-6-8-15)18-11-9-17(10-12-18)13-14(2)19/h4-8,14,16,19H,3,9-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyMBBVDJWQELJRDY-GOEBONIOSA-N
XLogP2.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol
CID 111799260
2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine
CID 62773053
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol (CID 95345707) is (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol is CC[C@H](c1ccccc1)N1CCN(C[C@H](C)O)CC1.
What is the InChIKey of (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol?
The InChIKey is MBBVDJWQELJRDY-GOEBONIOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-16(15-7-5-4-6-8-15)18-11-9-17(10-12-18)13-14(2)19/h4-8,14,16,19H,3,9-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95345707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).