2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol

C14H30N2O — CID 62270175

IUPAC2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol
SMILESCCCN1CCN(CC(C)(CO)CCC)CC1
InChIInChI=1S/C14H30N2O/c1-4-6-14(3,13-17)12-16-10-8-15(7-5-2)9-11-16/h17H,4-13H2,1-3H3
InChIKeyPSTPBOAVNNZBRS-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.81
Rot. Bonds7

About 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol

2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol (PubChem CID 62270175) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol
PubChem CID62270175
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol
SMILESCCCN1CCN(CC(C)(CO)CCC)CC1
InChIInChI=1S/C14H30N2O/c1-4-6-14(3,13-17)12-16-10-8-15(7-5-2)9-11-16/h17H,4-13H2,1-3H3
InChIKeyPSTPBOAVNNZBRS-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol?
The IUPAC name of 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol (CID 62270175) is 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol is CCCN1CCN(CC(C)(CO)CCC)CC1.
What is the InChIKey of 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol?
The InChIKey is PSTPBOAVNNZBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-14(3,13-17)12-16-10-8-15(7-5-2)9-11-16/h17H,4-13H2,1-3H3.
What are the key properties of 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol?
2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol is sourced from PubChem (CID 62270175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).