1-(1-phenylhexan-2-yl)piperazine

C16H26N2 — CID 67652874

IUPAC1-(1-phenylhexan-2-yl)piperazine
SMILESCCCCC(Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C16H26N2/c1-2-3-9-16(18-12-10-17-11-13-18)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3
InChIKeyQSQKNQHCDADAMZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds6

About 1-(1-phenylhexan-2-yl)piperazine

1-(1-phenylhexan-2-yl)piperazine (PubChem CID 67652874) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(1-phenylhexan-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-phenylhexan-2-yl)piperazine
PubChem CID67652874
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(1-phenylhexan-2-yl)piperazine
SMILESCCCCC(Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C16H26N2/c1-2-3-9-16(18-12-10-17-11-13-18)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3
InChIKeyQSQKNQHCDADAMZ-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine
CID 58172183
N-benzyl-4-[(1S)-1-piperazin-1-ylpentyl]aniline;dihydrochloride
CID 171308846
1-oct-1-en-4-ylpiperazine
CID 66656053
4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid
CID 82352241
1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine
CID 174488177
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
CID 171308361
2-(1,4-diazepan-1-yl)hexan-1-ol
CID 61352767
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362
1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 5150431
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
CID 171308857

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylhexan-2-yl)piperazine?
The IUPAC name of 1-(1-phenylhexan-2-yl)piperazine (CID 67652874) is 1-(1-phenylhexan-2-yl)piperazine.
What is the SMILES notation for 1-(1-phenylhexan-2-yl)piperazine?
The canonical SMILES for 1-(1-phenylhexan-2-yl)piperazine is CCCCC(Cc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-(1-phenylhexan-2-yl)piperazine?
The InChIKey is QSQKNQHCDADAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-9-16(18-12-10-17-11-13-18)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3.
What are the key properties of 1-(1-phenylhexan-2-yl)piperazine?
1-(1-phenylhexan-2-yl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylhexan-2-yl)piperazine is sourced from PubChem (CID 67652874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).