4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine

C16H31NO — CID 43823199

IUPAC4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine
SMILESCC1CCC(C(C)C)C(OCC2CCNCC2)C1
InChIInChI=1S/C16H31NO/c1-12(2)15-5-4-13(3)10-16(15)18-11-14-6-8-17-9-7-14/h12-17H,4-11H2,1-3H3
InChIKeyXYJWMVPVTXFWAV-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.46
Rot. Bonds4

About 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine

4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine (PubChem CID 43823199) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine.

Molecular Properties

Compound Name4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine
PubChem CID43823199
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine
SMILESCC1CCC(C(C)C)C(OCC2CCNCC2)C1
InChIInChI=1S/C16H31NO/c1-12(2)15-5-4-13(3)10-16(15)18-11-14-6-8-17-9-7-14/h12-17H,4-11H2,1-3H3
InChIKeyXYJWMVPVTXFWAV-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
CID 73079157
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine?
The IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine (CID 43823199) is 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine.
What is the SMILES notation for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine?
The canonical SMILES for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine is CC1CCC(C(C)C)C(OCC2CCNCC2)C1.
What is the InChIKey of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine?
The InChIKey is XYJWMVPVTXFWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)15-5-4-13(3)10-16(15)18-11-14-6-8-17-9-7-14/h12-17H,4-11H2,1-3H3.
What are the key properties of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine?
4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine has a molecular weight of 253.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]piperidine is sourced from PubChem (CID 43823199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).