1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol

C17H34N2O — CID 114678018

IUPAC1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
SMILESCC1CN(C2CC(C(C)(C)C)CCC2CN)CCC1O
InChIInChI=1S/C17H34N2O/c1-12-11-19(8-7-16(12)20)15-9-14(17(2,3)4)6-5-13(15)10-18/h12-16,20H,5-11,18H2,1-4H3
InChIKeyGVZJXNLFAMQWFO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.48
Rot. Bonds2

About 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol

1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol (PubChem CID 114678018) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
PubChem CID114678018
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
SMILESCC1CN(C2CC(C(C)(C)C)CCC2CN)CCC1O
InChIInChI=1S/C17H34N2O/c1-12-11-19(8-7-16(12)20)15-9-14(17(2,3)4)6-5-13(15)10-18/h12-16,20H,5-11,18H2,1-4H3
InChIKeyGVZJXNLFAMQWFO-UHFFFAOYSA-N
XLogP2.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol
CID 62941504
(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293404
[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63404551
[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol
CID 102932236
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63403927
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]cyclopentan-1-ol
CID 114961215
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one
CID 43329379
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1,4-diazepan-5-one
CID 63003557
[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine
CID 81005227
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 102956549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol (CID 114678018) is 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol is CC1CN(C2CC(C(C)(C)C)CCC2CN)CCC1O.
What is the InChIKey of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol?
The InChIKey is GVZJXNLFAMQWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12-11-19(8-7-16(12)20)15-9-14(17(2,3)4)6-5-13(15)10-18/h12-16,20H,5-11,18H2,1-4H3.
What are the key properties of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol?
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114678018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).