1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine

C16H34N2 — CID 64936101

IUPAC1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCCCCCC(C)N1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C16H34N2/c1-7-8-9-10-14(4)18-12-16(5,6)17-11-15(18)13(2)3/h13-15,17H,7-12H2,1-6H3
InChIKeyBCVIXBDPDJRODN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds6

About 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine

1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64936101) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64936101
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCCCCCC(C)N1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C16H34N2/c1-7-8-9-10-14(4)18-12-16(5,6)17-11-15(18)13(2)3/h13-15,17H,7-12H2,1-6H3
InChIKeyBCVIXBDPDJRODN-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947217
5-cyclopropyl-5-methyl-1-pentan-2-yl-2-propan-2-ylpiperazine
CID 64932384
5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine
CID 64936589
2-ethyl-5,5-dimethyl-1-pentan-2-ylpiperazine
CID 64931991
5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine
CID 64942395
5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine
CID 106027142
5-ethyl-1-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64939357
3,3-dimethyl-1-octan-2-yl-1,4-diazepane
CID 64943236
5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine
CID 64948368
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine
CID 64947844
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82924761

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64936101) is 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine is CCCCCC(C)N1CC(C)(C)NCC1C(C)C.
What is the InChIKey of 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is BCVIXBDPDJRODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-8-9-10-14(4)18-12-16(5,6)17-11-15(18)13(2)3/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine?
1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64936101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).