4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane

C17H30N2 — CID 144503666

IUPAC4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
SMILESCCC.CCc1ccc(NCC2CCNCC2)cc1
InChIInChI=1S/C14H22N2.C3H8/c1-2-12-3-5-14(6-4-12)16-11-13-7-9-15-10-8-13;1-3-2/h3-6,13,15-16H,2,7-11H2,1H3;3H2,1-2H3
InChIKeyLRXWECVKKPKKDB-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.08
Rot. Bonds4

About 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane

4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane (PubChem CID 144503666) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane.

Molecular Properties

Compound Name4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
PubChem CID144503666
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
SMILESCCC.CCc1ccc(NCC2CCNCC2)cc1
InChIInChI=1S/C14H22N2.C3H8/c1-2-12-3-5-14(6-4-12)16-11-13-7-9-15-10-8-13;1-3-2/h3-6,13,15-16H,2,7-11H2,1H3;3H2,1-2H3
InChIKeyLRXWECVKKPKKDB-UHFFFAOYSA-N
XLogP4.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 79708402
N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
CID 3148496
N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
CID 79707370
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
CID 112719835
1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one
CID 79707302
4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
CID 79708174
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane?
The IUPAC name of 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane (CID 144503666) is 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane.
What is the SMILES notation for 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane?
The canonical SMILES for 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane is CCC.CCc1ccc(NCC2CCNCC2)cc1.
What is the InChIKey of 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane?
The InChIKey is LRXWECVKKPKKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C3H8/c1-2-12-3-5-14(6-4-12)16-11-13-7-9-15-10-8-13;1-3-2/h3-6,13,15-16H,2,7-11H2,1H3;3H2,1-2H3.
What are the key properties of 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane?
4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane has a molecular weight of 262.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane is sourced from PubChem (CID 144503666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).