2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine

C18H30N2O — CID 54807291

IUPAC2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC1CCN(CCNCc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-15(2)21-18-6-4-17(5-7-18)14-19-10-13-20-11-8-16(3)9-12-20/h4-7,15-16,19H,8-14H2,1-3H3
InChIKeyYGQYPPFOFJBVEB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds7

About 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine

2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 54807291) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID54807291
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC1CCN(CCNCc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-15(2)21-18-6-4-17(5-7-18)14-19-10-13-20-11-8-16(3)9-12-20/h4-7,15-16,19H,8-14H2,1-3H3
InChIKeyYGQYPPFOFJBVEB-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 79978719
1-[3-(4-methylpiperidin-1-yl)propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100632100
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine
CID 156817368
N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111211183
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210749
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
2-(cyclopenten-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845268

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 54807291) is 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine is CC1CCN(CCNCc2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is YGQYPPFOFJBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)21-18-6-4-17(5-7-18)14-19-10-13-20-11-8-16(3)9-12-20/h4-7,15-16,19H,8-14H2,1-3H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 54807291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).