N,N-diethyl-4-(piperidin-3-ylmethyl)aniline

C16H26N2 — CID 117368943

IUPACN,N-diethyl-4-(piperidin-3-ylmethyl)aniline
SMILESCCN(CC)c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H26N2/c1-3-18(4-2)16-9-7-14(8-10-16)12-15-6-5-11-17-13-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyPCLDTSDJDUCELS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds5

About N,N-diethyl-4-(piperidin-3-ylmethyl)aniline

N,N-diethyl-4-(piperidin-3-ylmethyl)aniline (PubChem CID 117368943) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,N-diethyl-4-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(piperidin-3-ylmethyl)aniline
PubChem CID117368943
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,N-diethyl-4-(piperidin-3-ylmethyl)aniline
SMILESCCN(CC)c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H26N2/c1-3-18(4-2)16-9-7-14(8-10-16)12-15-6-5-11-17-13-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyPCLDTSDJDUCELS-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
4-(azepan-3-ylmethyl)aniline
CID 131866248
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(piperidin-3-ylmethyl)aniline?
The IUPAC name of N,N-diethyl-4-(piperidin-3-ylmethyl)aniline (CID 117368943) is N,N-diethyl-4-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for N,N-diethyl-4-(piperidin-3-ylmethyl)aniline is CCN(CC)c1ccc(CC2CCCNC2)cc1.
What is the InChIKey of N,N-diethyl-4-(piperidin-3-ylmethyl)aniline?
The InChIKey is PCLDTSDJDUCELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(4-2)16-9-7-14(8-10-16)12-15-6-5-11-17-13-15/h7-10,15,17H,3-6,11-13H2,1-2H3.
What are the key properties of N,N-diethyl-4-(piperidin-3-ylmethyl)aniline?
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 117368943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).