2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol

C14H28N2O — CID 62265497

IUPAC2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-3-14(2,12-17)11-16-8-6-15(7-9-16)10-13-4-5-13/h13,17H,3-12H2,1-2H3
InChIKeyPAWBPVWBSYAYIY-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.42
Rot. Bonds6

About 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol

2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol (PubChem CID 62265497) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
PubChem CID62265497
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-3-14(2,12-17)11-16-8-6-15(7-9-16)10-13-4-5-13/h13,17H,3-12H2,1-2H3
InChIKeyPAWBPVWBSYAYIY-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 62271722
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64827441
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
CID 66371587
2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol
CID 102967560
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol
CID 62266189
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
CID 79631258
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol (CID 62265497) is 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CN1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol?
The InChIKey is PAWBPVWBSYAYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14(2,12-17)11-16-8-6-15(7-9-16)10-13-4-5-13/h13,17H,3-12H2,1-2H3.
What are the key properties of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol?
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 62265497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).