1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol

C14H28N2O — CID 60910236

IUPAC1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCN1CCC(NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C14H28N2O/c1-16-10-6-13(7-11-16)15-12-14(17)8-4-2-3-5-9-14/h13,15,17H,2-12H2,1H3
InChIKeyJVLQPOUTXKIAMT-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.76
Rot. Bonds3

About 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol

1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 60910236) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
PubChem CID60910236
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCN1CCC(NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C14H28N2O/c1-16-10-6-13(7-11-16)15-12-14(17)8-4-2-3-5-9-14/h13,15,17H,2-12H2,1H3
InChIKeyJVLQPOUTXKIAMT-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-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

Related Compounds

1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83190034
1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
CID 60710956
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 103904879
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol (CID 60910236) is 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol is CN1CCC(NCC2(O)CCCCCC2)CC1.
What is the InChIKey of 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is JVLQPOUTXKIAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16-10-6-13(7-11-16)15-12-14(17)8-4-2-3-5-9-14/h13,15,17H,2-12H2,1H3.
What are the key properties of 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol?
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60910236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).