N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine

C17H28N2 — CID 106633350

IUPACN-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCC2CCCCN2)cc1
InChIInChI=1S/C17H28N2/c1-13(2)15-7-9-16(10-8-15)14(3)19-12-17-6-4-5-11-18-17/h7-10,13-14,17-19H,4-6,11-12H2,1-3H3
InChIKeyLXHQBOUERRHTHE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine

N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 106633350) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID106633350
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCC2CCCCN2)cc1
InChIInChI=1S/C17H28N2/c1-13(2)15-7-9-16(10-8-15)14(3)19-12-17-6-4-5-11-18-17/h7-10,13-14,17-19H,4-6,11-12H2,1-3H3
InChIKeyLXHQBOUERRHTHE-UHFFFAOYSA-N
XLogP3.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116951649
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 71637827
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106633990
1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106637240

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 106633350) is N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NCC2CCCCN2)cc1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is LXHQBOUERRHTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)15-7-9-16(10-8-15)14(3)19-12-17-6-4-5-11-18-17/h7-10,13-14,17-19H,4-6,11-12H2,1-3H3.
What are the key properties of N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 106633350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).