4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol

C14H28N2O3 — CID 163037539

IUPAC4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol
SMILESCOCC1(CNC2CCN(C)CC2)CC(O)C(O)C1
InChIInChI=1S/C14H28N2O3/c1-16-5-3-11(4-6-16)15-9-14(10-19-2)7-12(17)13(18)8-14/h11-13,15,17-18H,3-10H2,1-2H3
InChIKeyJXPUWZLWLGEYAS-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.18
Rot. Bonds5

About 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol

4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol (PubChem CID 163037539) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol
PubChem CID163037539
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol
SMILESCOCC1(CNC2CCN(C)CC2)CC(O)C(O)C1
InChIInChI=1S/C14H28N2O3/c1-16-5-3-11(4-6-16)15-9-14(10-19-2)7-12(17)13(18)8-14/h11-13,15,17-18H,3-10H2,1-2H3
InChIKeyJXPUWZLWLGEYAS-UHFFFAOYSA-N
XLogP-0.18
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol 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

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 139515814
cis-(1S,2R)-4-[[(4-fluorophenyl)methylamino]methyl]-4-(methoxymethyl)cyclopentane-1,2-diol;hydrochloride
CID 146119607
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine
CID 115249268
1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
CID 122566362
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 139515838
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
CID 103802384
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol
CID 75368118
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542
1-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 115244573

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol?
The IUPAC name of 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol (CID 163037539) is 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol.
What is the SMILES notation for 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol?
The canonical SMILES for 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol is COCC1(CNC2CCN(C)CC2)CC(O)C(O)C1.
What is the InChIKey of 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol?
The InChIKey is JXPUWZLWLGEYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-16-5-3-11(4-6-16)15-9-14(10-19-2)7-12(17)13(18)8-14/h11-13,15,17-18H,3-10H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol?
4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol has a molecular weight of 272.39 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 163037539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).