2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol

C14H28N2O — CID 62266189

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCN(C2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-3-6-14(2,12-17)11-15-7-9-16(10-8-15)13-4-5-13/h13,17H,3-12H2,1-2H3
InChIKeyQIRRBSNNJVFWNK-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.57
Rot. Bonds6

About 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol

2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol (PubChem CID 62266189) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol
PubChem CID62266189
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCN(C2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-3-6-14(2,12-17)11-15-7-9-16(10-8-15)13-4-5-13/h13,17H,3-12H2,1-2H3
InChIKeyQIRRBSNNJVFWNK-UHFFFAOYSA-N
XLogP1.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-2-methylpentyl]piperidin-4-ol
CID 62272555
2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol
CID 62270175
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pentan-1-ol
CID 62777293
2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62369813
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
CID 62265643
1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64776099
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-ol
CID 106589129
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62270790
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol
CID 62271457
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
CID 62890251

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol (CID 62266189) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol?
The InChIKey is QIRRBSNNJVFWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-6-14(2,12-17)11-15-7-9-16(10-8-15)13-4-5-13/h13,17H,3-12H2,1-2H3.
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol is sourced from PubChem (CID 62266189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).