1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine

C20H34N2 — CID 118683629

IUPAC1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H34N2/c1-6-22(7-2)19-12-14-21(15-13-19)16-17-8-10-18(11-9-17)20(3,4)5/h8-11,19H,6-7,12-16H2,1-5H3
InChIKeyNRFMZWYDGZBPDI-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.29
Rot. Bonds5

About 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine

1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine (PubChem CID 118683629) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine
PubChem CID118683629
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H34N2/c1-6-22(7-2)19-12-14-21(15-13-19)16-17-8-10-18(11-9-17)20(3,4)5/h8-11,19H,6-7,12-16H2,1-5H3
InChIKeyNRFMZWYDGZBPDI-UHFFFAOYSA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 168961754
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-diethylpyrrolidin-3-amine
CID 59295543
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
2-[[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043079
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
1-[(3-amino-4-methylphenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 55224176

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine (CID 118683629) is 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine is CCN(CC)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine?
The InChIKey is NRFMZWYDGZBPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-6-22(7-2)19-12-14-21(15-13-19)16-17-8-10-18(11-9-17)20(3,4)5/h8-11,19H,6-7,12-16H2,1-5H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine?
1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine has a molecular weight of 302.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine is sourced from PubChem (CID 118683629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).