4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine

C19H29N — CID 143233960

IUPAC4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine
SMILESC=C(C)c1ccc(C(C)(C)C)cc1CC1CCNCC1
InChIInChI=1S/C19H29N/c1-14(2)18-7-6-17(19(3,4)5)13-16(18)12-15-8-10-20-11-9-15/h6-7,13,15,20H,1,8-12H2,2-5H3
InChIKeyYYIPDMJRMKJXST-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.56
Rot. Bonds3

About 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine

4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine (PubChem CID 143233960) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine
PubChem CID143233960
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine
SMILESC=C(C)c1ccc(C(C)(C)C)cc1CC1CCNCC1
InChIInChI=1S/C19H29N/c1-14(2)18-7-6-17(19(3,4)5)13-16(18)12-15-8-10-20-11-9-15/h6-7,13,15,20H,1,8-12H2,2-5H3
InChIKeyYYIPDMJRMKJXST-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 66809492
(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone
CID 82049671
2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol
CID 117452826
(5-tert-butyl-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916850
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine
CID 163742238
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine
CID 143234084
4-[2-(2,4-ditert-butylphenoxy)ethyl]piperidine
CID 56829654

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine (CID 143233960) is 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine is C=C(C)c1ccc(C(C)(C)C)cc1CC1CCNCC1.
What is the InChIKey of 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine?
The InChIKey is YYIPDMJRMKJXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)18-7-6-17(19(3,4)5)13-16(18)12-15-8-10-20-11-9-15/h6-7,13,15,20H,1,8-12H2,2-5H3.
What are the key properties of 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine?
4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine has a molecular weight of 271.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 143233960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).