N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine

C18H31N3 — CID 80553737

IUPACN-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CNCC2CCCNC2)cc1
InChIInChI=1S/C18H31N3/c1-3-21(4-2)15-17-9-7-16(8-10-17)12-20-14-18-6-5-11-19-13-18/h7-10,18-20H,3-6,11-15H2,1-2H3
InChIKeyRQIONUSQPPWMSL-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.62
Rot. Bonds8

About N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine

N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine (PubChem CID 80553737) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
PubChem CID80553737
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CNCC2CCCNC2)cc1
InChIInChI=1S/C18H31N3/c1-3-21(4-2)15-17-9-7-16(8-10-17)12-20-14-18-6-5-11-19-13-18/h7-10,18-20H,3-6,11-15H2,1-2H3
InChIKeyRQIONUSQPPWMSL-UHFFFAOYSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
CID 62070861
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962741
4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
CID 80553043
N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine
CID 117336989
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine (CID 80553737) is N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(CNCC2CCCNC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The InChIKey is RQIONUSQPPWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-21(4-2)15-17-9-7-16(8-10-17)12-20-14-18-6-5-11-19-13-18/h7-10,18-20H,3-6,11-15H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine?
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 80553737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).