(2S)-2-phenyl-1,4-dipropylpiperazine

C16H26N2 — CID 124541393

IUPAC(2S)-2-phenyl-1,4-dipropylpiperazine
SMILESCCCN1CCN(CCC)[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-10-17-12-13-18(11-4-2)16(14-17)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3/t16-/m1/s1
InChIKeyHJAGGLMHNICIHN-MRXNPFEDSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds5

About (2S)-2-phenyl-1,4-dipropylpiperazine

(2S)-2-phenyl-1,4-dipropylpiperazine (PubChem CID 124541393) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2S)-2-phenyl-1,4-dipropylpiperazine.

Molecular Properties

Compound Name(2S)-2-phenyl-1,4-dipropylpiperazine
PubChem CID124541393
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2S)-2-phenyl-1,4-dipropylpiperazine
SMILESCCCN1CCN(CCC)[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-10-17-12-13-18(11-4-2)16(14-17)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3/t16-/m1/s1
InChIKeyHJAGGLMHNICIHN-MRXNPFEDSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-phenyl-1-propyl-1,4-diazepane
CID 82242016
CID 53230801
CID 53230801
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol
CID 70637767
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
1-ethyl-2-phenyl-4-propan-2-ylpiperazine
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1-ethyl-4-methoxy-2-phenylpiperazine
CID 70136749

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1,4-dipropylpiperazine?
The IUPAC name of (2S)-2-phenyl-1,4-dipropylpiperazine (CID 124541393) is (2S)-2-phenyl-1,4-dipropylpiperazine.
What is the SMILES notation for (2S)-2-phenyl-1,4-dipropylpiperazine?
The canonical SMILES for (2S)-2-phenyl-1,4-dipropylpiperazine is CCCN1CCN(CCC)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-2-phenyl-1,4-dipropylpiperazine?
The InChIKey is HJAGGLMHNICIHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-10-17-12-13-18(11-4-2)16(14-17)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2S)-2-phenyl-1,4-dipropylpiperazine?
(2S)-2-phenyl-1,4-dipropylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1,4-dipropylpiperazine is sourced from PubChem (CID 124541393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).