(1-benzyl-2-methylpiperidin-4-yl)cyanamide

C14H19N3 — CID 130964411

IUPAC(1-benzyl-2-methylpiperidin-4-yl)cyanamide
SMILESCC1CC(NC#N)CCN1Cc1ccccc1
InChIInChI=1S/C14H19N3/c1-12-9-14(16-11-15)7-8-17(12)10-13-5-3-2-4-6-13/h2-6,12,14,16H,7-10H2,1H3
InChIKeyAIXVLJHXGBHVHX-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.11
Rot. Bonds3

About (1-benzyl-2-methylpiperidin-4-yl)cyanamide

(1-benzyl-2-methylpiperidin-4-yl)cyanamide (PubChem CID 130964411) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1-benzyl-2-methylpiperidin-4-yl)cyanamide.

Molecular Properties

Compound Name(1-benzyl-2-methylpiperidin-4-yl)cyanamide
PubChem CID130964411
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1-benzyl-2-methylpiperidin-4-yl)cyanamide
SMILESCC1CC(NC#N)CCN1Cc1ccccc1
InChIInChI=1S/C14H19N3/c1-12-9-14(16-11-15)7-8-17(12)10-13-5-3-2-4-6-13/h2-6,12,14,16H,7-10H2,1H3
InChIKeyAIXVLJHXGBHVHX-UHFFFAOYSA-N
XLogP2.11
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine
CID 96564285
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111861088
[5-[[(1-benzyl-2-methylpiperidin-4-yl)amino]methyl]furan-2-yl]methanol
CID 71975811
(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 96533537
1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 54976240
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-methylpiperidin-4-yl)cyanamide?
The IUPAC name of (1-benzyl-2-methylpiperidin-4-yl)cyanamide (CID 130964411) is (1-benzyl-2-methylpiperidin-4-yl)cyanamide.
What is the SMILES notation for (1-benzyl-2-methylpiperidin-4-yl)cyanamide?
The canonical SMILES for (1-benzyl-2-methylpiperidin-4-yl)cyanamide is CC1CC(NC#N)CCN1Cc1ccccc1.
What is the InChIKey of (1-benzyl-2-methylpiperidin-4-yl)cyanamide?
The InChIKey is AIXVLJHXGBHVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-9-14(16-11-15)7-8-17(12)10-13-5-3-2-4-6-13/h2-6,12,14,16H,7-10H2,1H3.
What are the key properties of (1-benzyl-2-methylpiperidin-4-yl)cyanamide?
(1-benzyl-2-methylpiperidin-4-yl)cyanamide has a molecular weight of 229.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-methylpiperidin-4-yl)cyanamide is sourced from PubChem (CID 130964411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).