1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol

C12H25N3O — CID 83021990

IUPAC1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol
SMILESCN1CCN(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-7-9-15(10-8-14)13-11-12(16)5-3-2-4-6-12/h13,16H,2-11H2,1H3
InChIKeyZNPAZVYROWDHRS-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.43
Rot. Bonds3

About 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol

1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 83021990) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol
PubChem CID83021990
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol
SMILESCN1CCN(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-7-9-15(10-8-14)13-11-12(16)5-3-2-4-6-12/h13,16H,2-11H2,1H3
InChIKeyZNPAZVYROWDHRS-UHFFFAOYSA-N
XLogP0.43
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111538987
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 54937597
ethyl 4-hydroxy-4-[(piperidin-1-ylamino)methyl]cyclohexane-1-carboxylate
CID 106499676
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
CID 83010725
1-(hydrazinylmethyl)cyclohexan-1-ol
CID 65213347
1-[(tert-butylamino)methyl]cyclooctan-1-ol
CID 62774336
(4-hydroxy-1-methylpiperidin-4-yl)methylurea
CID 67593720
4-methyl-N-(2-methylprop-2-enyl)piperazin-1-amine
CID 83021456
1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 117038143

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol (CID 83021990) is 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol is CN1CCN(NCC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZNPAZVYROWDHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-7-9-15(10-8-14)13-11-12(16)5-3-2-4-6-12/h13,16H,2-11H2,1H3.
What are the key properties of 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 83021990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).