N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine

C18H30N2O — CID 106640448

IUPACN-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CCOc1ccc(C)cc1)CC1CCCNC1
InChIInChI=1S/C18H30N2O/c1-3-11-20(15-17-5-4-10-19-14-17)12-13-21-18-8-6-16(2)7-9-18/h6-9,17,19H,3-5,10-15H2,1-2H3
InChIKeyKBEMYTASCROEOC-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds8

About N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine

N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106640448) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106640448
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CCOc1ccc(C)cc1)CC1CCCNC1
InChIInChI=1S/C18H30N2O/c1-3-11-20(15-17-5-4-10-19-14-17)12-13-21-18-8-6-16(2)7-9-18/h6-9,17,19H,3-5,10-15H2,1-2H3
InChIKeyKBEMYTASCROEOC-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640788
N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929845
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79704955
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625159
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106640448) is N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(CCOc1ccc(C)cc1)CC1CCCNC1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is KBEMYTASCROEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-20(15-17-5-4-10-19-14-17)12-13-21-18-8-6-16(2)7-9-18/h6-9,17,19H,3-5,10-15H2,1-2H3.
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106640448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).