ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine

C17H37N — CID 167474854

IUPACethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
SMILESC.CC.CC1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C14H27N.C2H6.CH4/c1-12-3-5-14(6-4-12)11-15-9-7-13(2)8-10-15;1-2;/h12-14H,3-11H2,1-2H3;1-2H3;1H4
InChIKeyMKMSLYZYELQEJQ-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.21
Rot. Bonds2

About ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine

ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine (PubChem CID 167474854) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine.

Molecular Properties

Compound Nameethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
PubChem CID167474854
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Nameethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
SMILESC.CC.CC1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C14H27N.C2H6.CH4/c1-12-3-5-14(6-4-12)11-15-9-7-13(2)8-10-15;1-2;/h12-14H,3-11H2,1-2H3;1-2H3;1H4
InChIKeyMKMSLYZYELQEJQ-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243515
1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one
CID 167284458
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
4-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 170022927
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987

Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine?
The IUPAC name of ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine (CID 167474854) is ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine.
What is the SMILES notation for ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine?
The canonical SMILES for ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine is C.CC.CC1CCC(CN2CCC(C)CC2)CC1.
What is the InChIKey of ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine?
The InChIKey is MKMSLYZYELQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.C2H6.CH4/c1-12-3-5-14(6-4-12)11-15-9-7-13(2)8-10-15;1-2;/h12-14H,3-11H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine?
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine has a molecular weight of 255.49 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine is sourced from PubChem (CID 167474854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).