N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline

C14H22N2 — CID 66280813

IUPACN,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline
SMILESCC1CNCCC1c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2/c1-11-10-15-9-8-14(11)12-4-6-13(7-5-12)16(2)3/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyOAPQQVIGBGAONU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.47
Rot. Bonds2

About N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline

N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline (PubChem CID 66280813) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline
PubChem CID66280813
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline
SMILESCC1CNCCC1c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2/c1-11-10-15-9-8-14(11)12-4-6-13(7-5-12)16(2)3/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyOAPQQVIGBGAONU-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline (CID 66280813) is N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline is CC1CNCCC1c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline?
The InChIKey is OAPQQVIGBGAONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-10-15-9-8-14(11)12-4-6-13(7-5-12)16(2)3/h4-7,11,14-15H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline?
N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline has a molecular weight of 218.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline is sourced from PubChem (CID 66280813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).