(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol

C15H32N2O — CID 118890170

IUPAC(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol
SMILESCCCC[C@@H](CO)CCCCCN1CCNCC1
InChIInChI=1S/C15H32N2O/c1-2-3-7-15(14-18)8-5-4-6-11-17-12-9-16-10-13-17/h15-16,18H,2-14H2,1H3/t15-/m1/s1
InChIKeyXUHORTPRDXXXCM-OAHLLOKOSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds10

About (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol

(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol (PubChem CID 118890170) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol.

Molecular Properties

Compound Name(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol
PubChem CID118890170
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol
SMILESCCCC[C@@H](CO)CCCCCN1CCNCC1
InChIInChI=1S/C15H32N2O/c1-2-3-7-15(14-18)8-5-4-6-11-17-12-9-16-10-13-17/h15-16,18H,2-14H2,1H3/t15-/m1/s1
InChIKeyXUHORTPRDXXXCM-OAHLLOKOSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol
CID 123725712
1-tricosylpiperazine
CID 130183651
ethane;1-octylpiperazine
CID 144711845
diazanium;1-docosylpiperazine;dibromide
CID 157305429
6-piperazin-1-ylhexane-1,2-diol
CID 146264990
1-(8-methylnonyl)piperazine
CID 170614920
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
zinc;1-hexadecyl-1,4,7,10-tetrazacyclododecane;hydroxide;perchlorate
CID 11071941
2-(2-piperazin-1-ylethyl)hexanoic acid
CID 142749407
1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine
CID 118887738
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol?
The IUPAC name of (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol (CID 118890170) is (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol.
What is the SMILES notation for (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol?
The canonical SMILES for (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol is CCCC[C@@H](CO)CCCCCN1CCNCC1.
What is the InChIKey of (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol?
The InChIKey is XUHORTPRDXXXCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H32N2O/c1-2-3-7-15(14-18)8-5-4-6-11-17-12-9-16-10-13-17/h15-16,18H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol?
(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-7-piperazin-1-ylheptan-1-ol is sourced from PubChem (CID 118890170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).