N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C19H32N2 — CID 115615117

IUPACN-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCNCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H32N2/c1-19(2,3)18-7-5-17(6-8-18)15-20-12-9-16-10-13-21(4)14-11-16/h5-8,16,20H,9-15H2,1-4H3
InChIKeyBHGPLOOMRCFFLQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.81
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 115615117) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID115615117
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCNCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H32N2/c1-19(2,3)18-7-5-17(6-8-18)15-20-12-9-16-10-13-21(4)14-11-16/h5-8,16,20H,9-15H2,1-4H3
InChIKeyBHGPLOOMRCFFLQ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115653390
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515163
2-bromo-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114515226
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115907007
N-[(4-bromo-3-chlorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 103581684
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115741995
N-[(3-bromophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615071
N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 115615117) is N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is CN1CCC(CCNCc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is BHGPLOOMRCFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-19(2,3)18-7-5-17(6-8-18)15-20-12-9-16-10-13-21(4)14-11-16/h5-8,16,20H,9-15H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 115615117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).