N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine

C18H30N2 — CID 106624032

IUPACN-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCc1ccccc1C(C)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H30N2/c1-14(2)20(13-17-9-7-11-19-12-17)16(4)18-10-6-5-8-15(18)3/h5-6,8,10,14,16-17,19H,7,9,11-13H2,1-4H3
InChIKeySUQJVNUAWOYSRC-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds5

About N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine

N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106624032) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106624032
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCc1ccccc1C(C)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H30N2/c1-14(2)20(13-17-9-7-11-19-12-17)16(4)18-10-6-5-8-15(18)3/h5-6,8,10,14,16-17,19H,7,9,11-13H2,1-4H3
InChIKeySUQJVNUAWOYSRC-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624190
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
1-(2-methylphenyl)-2-piperidin-3-ylethanol
CID 84685007
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride
CID 120858044
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
1-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106623955
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106624032) is N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine is Cc1ccccc1C(C)N(CC1CCCNC1)C(C)C.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is SUQJVNUAWOYSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)20(13-17-9-7-11-19-12-17)16(4)18-10-6-5-8-15(18)3/h5-6,8,10,14,16-17,19H,7,9,11-13H2,1-4H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106624032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).