4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline

C16H26N2 — CID 145119279

IUPAC4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H26N2/c1-4-14-6-5-11-18(12-14)13-15-7-9-16(10-8-15)17(2)3/h7-10,14H,4-6,11-13H2,1-3H3/t14-/m1/s1
InChIKeyXQSULNLGBIOSIN-CQSZACIVSA-N
MW246.40 g/mol
LogP3.37
Rot. Bonds4

About 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline

4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 145119279) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID145119279
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H26N2/c1-4-14-6-5-11-18(12-14)13-15-7-9-16(10-8-15)17(2)3/h7-10,14H,4-6,11-13H2,1-3H3/t14-/m1/s1
InChIKeyXQSULNLGBIOSIN-CQSZACIVSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]acetic acid
CID 65059942
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
CID 165424779
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
1-benzyl-3-ethylpyrrolidine
CID 12648208
3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol
CID 77094866

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline (CID 145119279) is 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline is CC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is XQSULNLGBIOSIN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-14-6-5-11-18(12-14)13-15-7-9-16(10-8-15)17(2)3/h7-10,14H,4-6,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline?
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 145119279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).