4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol

C16H33N3O — CID 19845977

IUPAC4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCNCCN1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C16H33N3O/c1-17-9-11-19-10-3-2-4-15(19)13-18-12-14-5-7-16(20)8-6-14/h14-18,20H,2-13H2,1H3
InChIKeyNPIWPAGHCCCDGX-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.20
Rot. Bonds7

About 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol

4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 19845977) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID19845977
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCNCCN1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C16H33N3O/c1-17-9-11-19-10-3-2-4-15(19)13-18-12-14-5-7-16(20)8-6-14/h14-18,20H,2-13H2,1H3
InChIKeyNPIWPAGHCCCDGX-UHFFFAOYSA-N
XLogP1.20
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 19845977) is 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol is CNCCN1CCCCC1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is NPIWPAGHCCCDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-17-9-11-19-10-3-2-4-15(19)13-18-12-14-5-7-16(20)8-6-14/h14-18,20H,2-13H2,1H3.
What are the key properties of 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-[2-(methylamino)ethyl]piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 19845977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).