(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate

C14H26N2O2 — CID 61283415

IUPAC(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(N)(C(=O)OC2CCN(C)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-3-7-14(15,8-4-11)13(17)18-12-5-9-16(2)10-6-12/h11-12H,3-10,15H2,1-2H3
InChIKeyRJXHHYWUDCRVNG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds2

About (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate

(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate (PubChem CID 61283415) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate
PubChem CID61283415
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(N)(C(=O)OC2CCN(C)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-3-7-14(15,8-4-11)13(17)18-12-5-9-16(2)10-6-12/h11-12H,3-10,15H2,1-2H3
InChIKeyRJXHHYWUDCRVNG-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpiperidin-4-yl) 2-sulfanylpropanoate
CID 107018228
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
CID 21469156
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-4-methylcyclohexane-1-carboxylate
CID 63540758
1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61279902
cyclobutyl 4-aminooxane-4-carboxylate
CID 115292709
(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
CID 23295066
3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 103403497
(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate
CID 113280395
oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 102606951
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate (CID 61283415) is (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate is CC1CCC(N)(C(=O)OC2CCN(C)CC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate?
The InChIKey is RJXHHYWUDCRVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-3-7-14(15,8-4-11)13(17)18-12-5-9-16(2)10-6-12/h11-12H,3-10,15H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate?
(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 61283415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).