1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine

C19H32N2 — CID 79874630

IUPAC1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1CN1CCC(N)C(C)C1
InChIInChI=1S/C19H32N2/c1-13-9-16(19(4,5)6)10-14(2)17(13)12-21-8-7-18(20)15(3)11-21/h9-10,15,18H,7-8,11-12,20H2,1-6H3
InChIKeyJMUZSJJLAYTFCM-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.77
Rot. Bonds2

About 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine

1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79874630) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine
PubChem CID79874630
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1CN1CCC(N)C(C)C1
InChIInChI=1S/C19H32N2/c1-13-9-16(19(4,5)6)10-14(2)17(13)12-21-8-7-18(20)15(3)11-21/h9-10,15,18H,7-8,11-12,20H2,1-6H3
InChIKeyJMUZSJJLAYTFCM-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648006
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79868557
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]piperidine-4-carbaldehyde
CID 62655377
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79867727
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840724
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-4-chlorophenol
CID 79879742
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine (CID 79874630) is 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine is Cc1cc(C(C)(C)C)cc(C)c1CN1CCC(N)C(C)C1.
What is the InChIKey of 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is JMUZSJJLAYTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-13-9-16(19(4,5)6)10-14(2)17(13)12-21-8-7-18(20)15(3)11-21/h9-10,15,18H,7-8,11-12,20H2,1-6H3.
What are the key properties of 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine?
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 288.48 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79874630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).