2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol

C15H31N3O — CID 62888663

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(N2CCN(CCN(C)C)CC2)C1
InChIInChI=1S/C15H31N3O/c1-13-4-5-15(19)14(12-13)18-10-8-17(9-11-18)7-6-16(2)3/h13-15,19H,4-12H2,1-3H3
InChIKeyIWNNIJYGBPOHKT-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.72
Rot. Bonds4

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol (PubChem CID 62888663) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol
PubChem CID62888663
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(N2CCN(CCN(C)C)CC2)C1
InChIInChI=1S/C15H31N3O/c1-13-4-5-15(19)14(12-13)18-10-8-17(9-11-18)7-6-16(2)3/h13-15,19H,4-12H2,1-3H3
InChIKeyIWNNIJYGBPOHKT-UHFFFAOYSA-N
XLogP0.72
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol (CID 62888663) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol is CC1CCC(O)C(N2CCN(CCN(C)C)CC2)C1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol?
The InChIKey is IWNNIJYGBPOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13-4-5-15(19)14(12-13)18-10-8-17(9-11-18)7-6-16(2)3/h13-15,19H,4-12H2,1-3H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 62888663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).