4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol

C14H29N3O — CID 163437977

IUPAC4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol
SMILESCN(C)CC1CCC(N2CCN(C)C(O)C2)CC1
InChIInChI=1S/C14H29N3O/c1-15(2)10-12-4-6-13(7-5-12)17-9-8-16(3)14(18)11-17/h12-14,18H,4-11H2,1-3H3
InChIKeyAWCYNRUZOHXJJI-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.67
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol

4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol (PubChem CID 163437977) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol
PubChem CID163437977
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol
SMILESCN(C)CC1CCC(N2CCN(C)C(O)C2)CC1
InChIInChI=1S/C14H29N3O/c1-15(2)10-12-4-6-13(7-5-12)17-9-8-16(3)14(18)11-17/h12-14,18H,4-11H2,1-3H3
InChIKeyAWCYNRUZOHXJJI-UHFFFAOYSA-N
XLogP0.67
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol?
The IUPAC name of 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol (CID 163437977) is 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol is CN(C)CC1CCC(N2CCN(C)C(O)C2)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol?
The InChIKey is AWCYNRUZOHXJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-15(2)10-12-4-6-13(7-5-12)17-9-8-16(3)14(18)11-17/h12-14,18H,4-11H2,1-3H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol?
4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol has a molecular weight of 255.41 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol is sourced from PubChem (CID 163437977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).