(2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine

C15H30N2O — CID 130335978

IUPAC(2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine
SMILESCC(C)C1CCC(OC[C@@H]2NCCC[C@@H]2N)CC1
InChIInChI=1S/C15H30N2O/c1-11(2)12-5-7-13(8-6-12)18-10-15-14(16)4-3-9-17-15/h11-15,17H,3-10,16H2,1-2H3/t12?,13?,14-,15-/m0/s1
InChIKeyGKECYYQHVDJYIU-WUCCLRPBSA-N
MW254.42 g/mol
LogP2.30
Rot. Bonds4

About (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine

(2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine (PubChem CID 130335978) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine
PubChem CID130335978
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine
SMILESCC(C)C1CCC(OC[C@@H]2NCCC[C@@H]2N)CC1
InChIInChI=1S/C15H30N2O/c1-11(2)12-5-7-13(8-6-12)18-10-15-14(16)4-3-9-17-15/h11-15,17H,3-10,16H2,1-2H3/t12?,13?,14-,15-/m0/s1
InChIKeyGKECYYQHVDJYIU-WUCCLRPBSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine
CID 166990396
ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
CID 154681369
ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 166990443
1-[(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 166854054
[(2R,3R)-2-(2-methylpropyl)piperidin-3-yl]methanamine
CID 82412253
N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310192
(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
CID 166854143
(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
CID 166990378
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
N-[(2R,3S)-2-[[4-(2-propan-2-yloxyphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 156747246
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
1-[[2-[[4-(2,3,6-trifluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]amino]ethanol
CID 130336162

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine?
The IUPAC name of (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine (CID 130335978) is (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine.
What is the SMILES notation for (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine?
The canonical SMILES for (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine is CC(C)C1CCC(OC[C@@H]2NCCC[C@@H]2N)CC1.
What is the InChIKey of (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine?
The InChIKey is GKECYYQHVDJYIU-WUCCLRPBSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)12-5-7-13(8-6-12)18-10-15-14(16)4-3-9-17-15/h11-15,17H,3-10,16H2,1-2H3/t12?,13?,14-,15-/m0/s1.
What are the key properties of (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine?
(2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-amine is sourced from PubChem (CID 130335978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).