1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol

C14H28N2O — CID 62623930

IUPAC1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCN1CCN(C2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)13(17)6-7-15-8-10-16(11-9-15)12-4-5-12/h12-13,17H,4-11H2,1-3H3
InChIKeyIUVSUYVMGKHHOJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.56
Rot. Bonds4

About 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol

1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol (PubChem CID 62623930) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
PubChem CID62623930
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCN1CCN(C2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)13(17)6-7-15-8-10-16(11-9-15)12-4-5-12/h12-13,17H,4-11H2,1-3H3
InChIKeyIUVSUYVMGKHHOJ-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623574
1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 62623024
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol
CID 62624803
1-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-3-amine
CID 55098190
4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol
CID 62625148
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64827038
1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol
CID 64821605
1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine
CID 130429186

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol (CID 62623930) is 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol is CC(C)(C)C(O)CCN1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is IUVSUYVMGKHHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)13(17)6-7-15-8-10-16(11-9-15)12-4-5-12/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol?
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 240.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62623930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).