4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

C17H28N2 — CID 62654126

IUPAC4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CNc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-5-7-16(8-6-15)18-13-14-9-11-19(4)12-10-14/h5-8,14,18H,9-13H2,1-4H3
InChIKeyPEQONRPKYRYJBT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.74
Rot. Bonds3

About 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 62654126) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID62654126
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CNc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-5-7-16(8-6-15)18-13-14-9-11-19(4)12-10-14/h5-8,14,18H,9-13H2,1-4H3
InChIKeyPEQONRPKYRYJBT-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
CID 62655952
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62654527
N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline
CID 62659052
4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655648
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658840
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
propan-2-yl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655829
2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 55100280
N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 60857116
1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one
CID 62658675

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 62654126) is 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is CN1CCC(CNc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is PEQONRPKYRYJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)15-5-7-16(8-6-15)18-13-14-9-11-19(4)12-10-14/h5-8,14,18H,9-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 62654126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).