1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride

C17H29ClN2 — CID 119908451

IUPAC1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
SMILESCC(c1ccc(C(C)(C)C)cc1)N1CCC(N)CC1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-13(19-11-9-16(18)10-12-19)14-5-7-15(8-6-14)17(2,3)4;/h5-8,13,16H,9-12,18H2,1-4H3;1H
InChIKeyFSKPZUCKIGPZAU-UHFFFAOYSA-N
MW296.89 g/mol
LogP3.89
Rot. Bonds2

About 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride

1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride (PubChem CID 119908451) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
PubChem CID119908451
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
SMILESCC(c1ccc(C(C)(C)C)cc1)N1CCC(N)CC1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-13(19-11-9-16(18)10-12-19)14-5-7-15(8-6-14)17(2,3)4;/h5-8,13,16H,9-12,18H2,1-4H3;1H
InChIKeyFSKPZUCKIGPZAU-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905772
[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915816
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
1-[1-(6-methoxynaphthalen-2-yl)ethyl]piperidin-4-amine
CID 43130766
1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917520
1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile
CID 63990737
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride (CID 119908451) is 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride is CC(c1ccc(C(C)(C)C)cc1)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The InChIKey is FSKPZUCKIGPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.ClH/c1-13(19-11-9-16(18)10-12-19)14-5-7-15(8-6-14)17(2,3)4;/h5-8,13,16H,9-12,18H2,1-4H3;1H.
What are the key properties of 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride?
1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride has a molecular weight of 296.89 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119908451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).