4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol

C14H28N2O — CID 66454127

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-12(17)14(2,3)11-16-8-6-15(7-9-16)10-13-4-5-13/h12-13,17H,4-11H2,1-3H3
InChIKeyUZVXKGGNTDKKDC-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.42
Rot. Bonds5

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol

4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 66454127) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID66454127
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-12(17)14(2,3)11-16-8-6-15(7-9-16)10-13-4-5-13/h12-13,17H,4-11H2,1-3H3
InChIKeyUZVXKGGNTDKKDC-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 66452170
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64827441
1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62265497
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
CID 79631258
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol (CID 66454127) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol is CC(O)C(C)(C)CN1CCN(CC2CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is UZVXKGGNTDKKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(17)14(2,3)11-16-8-6-15(7-9-16)10-13-4-5-13/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66454127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).