[1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol

C19H30N2O — CID 166838025

IUPAC[1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol
SMILESC=C(CC(C)(C)C)N1CCN(Cc2ccccc2)C(CO)C1
InChIInChI=1S/C19H30N2O/c1-16(12-19(2,3)4)20-10-11-21(18(14-20)15-22)13-17-8-6-5-7-9-17/h5-9,18,22H,1,10-15H2,2-4H3
InChIKeyACDPPBPTORSGSM-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.12
Rot. Bonds5

About [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol

[1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol (PubChem CID 166838025) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol
PubChem CID166838025
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name[1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol
SMILESC=C(CC(C)(C)C)N1CCN(Cc2ccccc2)C(CO)C1
InChIInChI=1S/C19H30N2O/c1-16(12-19(2,3)4)20-10-11-21(18(14-20)15-22)13-17-8-6-5-7-9-17/h5-9,18,22H,1,10-15H2,2-4H3
InChIKeyACDPPBPTORSGSM-UHFFFAOYSA-N
XLogP3.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol?
The IUPAC name of [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol (CID 166838025) is [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol?
The canonical SMILES for [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol is C=C(CC(C)(C)C)N1CCN(Cc2ccccc2)C(CO)C1.
What is the InChIKey of [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol?
The InChIKey is ACDPPBPTORSGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16(12-19(2,3)4)20-10-11-21(18(14-20)15-22)13-17-8-6-5-7-9-17/h5-9,18,22H,1,10-15H2,2-4H3.
What are the key properties of [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol?
[1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol has a molecular weight of 302.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol is sourced from PubChem (CID 166838025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).