N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

C17H28N2 — CID 106624684

IUPACN-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCc1ccc(CN(CC)CC2CCCNC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-7-9-16(10-8-15)13-19(4-2)14-17-6-5-11-18-12-17/h7-10,17-18H,3-6,11-14H2,1-2H3
InChIKeySGSQREDPCLYGFU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106624684) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106624684
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCc1ccc(CN(CC)CC2CCCNC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-7-9-16(10-8-15)13-19(4-2)14-17-6-5-11-18-12-17/h7-10,17-18H,3-6,11-14H2,1-2H3
InChIKeySGSQREDPCLYGFU-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
N-[(3-chloro-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624521
N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106624469
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106624693

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 106624684) is N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is CCc1ccc(CN(CC)CC2CCCNC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is SGSQREDPCLYGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15-7-9-16(10-8-15)13-19(4-2)14-17-6-5-11-18-12-17/h7-10,17-18H,3-6,11-14H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106624684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).