[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol

C15H32N4O — CID 79635510

IUPAC[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
SMILESCN(C)CCN1CCN(C2CCCC(N)(CO)C2)CC1
InChIInChI=1S/C15H32N4O/c1-17(2)6-7-18-8-10-19(11-9-18)14-4-3-5-15(16,12-14)13-20/h14,20H,3-13,16H2,1-2H3
InChIKeyKEOMGJYJTNEFCF-UHFFFAOYSA-N
MW284.45 g/mol
LogP-0.20
Rot. Bonds5

About [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol

[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol (PubChem CID 79635510) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
PubChem CID79635510
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
SMILESCN(C)CCN1CCN(C2CCCC(N)(CO)C2)CC1
InChIInChI=1S/C15H32N4O/c1-17(2)6-7-18-8-10-19(11-9-18)14-4-3-5-15(16,12-14)13-20/h14,20H,3-13,16H2,1-2H3
InChIKeyKEOMGJYJTNEFCF-UHFFFAOYSA-N
XLogP-0.20
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol (CID 79635510) is [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol is CN(C)CCN1CCN(C2CCCC(N)(CO)C2)CC1.
What is the InChIKey of [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol?
The InChIKey is KEOMGJYJTNEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-17(2)6-7-18-8-10-19(11-9-18)14-4-3-5-15(16,12-14)13-20/h14,20H,3-13,16H2,1-2H3.
What are the key properties of [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol?
[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol has a molecular weight of 284.45 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 79635510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).