[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride

C18H31ClN2 — CID 119915816

IUPAC[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCC(c1ccc(C(C)(C)C)cc1)N1CCCC(CN)C1.Cl
InChIInChI=1S/C18H30N2.ClH/c1-14(20-11-5-6-15(12-19)13-20)16-7-9-17(10-8-16)18(2,3)4;/h7-10,14-15H,5-6,11-13,19H2,1-4H3;1H
InChIKeyRNJUZTBNGJJZOD-UHFFFAOYSA-N
MW310.91 g/mol
LogP4.14
Rot. Bonds3

About [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride

[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915816) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915816
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC Name[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCC(c1ccc(C(C)(C)C)cc1)N1CCCC(CN)C1.Cl
InChIInChI=1S/C18H30N2.ClH/c1-14(20-11-5-6-15(12-19)13-20)16-7-9-17(10-8-16)18(2,3)4;/h7-10,14-15H,5-6,11-13,19H2,1-4H3;1H
InChIKeyRNJUZTBNGJJZOD-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915680
1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119908451
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905772
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728172
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride (CID 119915816) is [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride is CC(c1ccc(C(C)(C)C)cc1)N1CCCC(CN)C1.Cl.
What is the InChIKey of [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is RNJUZTBNGJJZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2.ClH/c1-14(20-11-5-6-15(12-19)13-20)16-7-9-17(10-8-16)18(2,3)4;/h7-10,14-15H,5-6,11-13,19H2,1-4H3;1H.
What are the key properties of [1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 310.91 g/mol, XLogP of 4.14, 3 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-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).