ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide

C15H21N3 — CID 142484586

IUPACethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide
SMILESCCN(C#N)CC1CCNC(c2ccccc2)C1
InChIInChI=1S/C15H21N3/c1-2-18(12-16)11-13-8-9-17-15(10-13)14-6-4-3-5-7-14/h3-7,13,15,17H,2,8-11H2,1H3
InChIKeyNUIYUKWRHXJLLV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.53
Rot. Bonds4

About ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide

ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide (PubChem CID 142484586) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide.

Molecular Properties

Compound Nameethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide
PubChem CID142484586
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Nameethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide
SMILESCCN(C#N)CC1CCNC(c2ccccc2)C1
InChIInChI=1S/C15H21N3/c1-2-18(12-16)11-13-8-9-17-15(10-13)14-6-4-3-5-7-14/h3-7,13,15,17H,2,8-11H2,1H3
InChIKeyNUIYUKWRHXJLLV-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.53
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

(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
4-(cyclopropylmethyl)-2-phenylpiperidine
CID 174205891
4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine
CID 70283329
2-ethyl-3-phenylpyrrolidine
CID 62354556
2-phenyl-4-(trifluoromethyl)piperidine
CID 66330695
(3R,5S)-5-phenylpyrrolidine-3-carbonitrile
CID 169170901
2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 167460247
[2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol
CID 117000423
methyl (2S,4R)-2-phenylpiperidine-4-carboxylate
CID 51441743
2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol
CID 170718755
2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
CID 174645024
2-pentan-3-yl-4-phenylpiperidine
CID 77231300

Frequently Asked Questions

What is the IUPAC name of ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide?
The IUPAC name of ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide (CID 142484586) is ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide.
What is the SMILES notation for ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide?
The canonical SMILES for ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide is CCN(C#N)CC1CCNC(c2ccccc2)C1.
What is the InChIKey of ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide?
The InChIKey is NUIYUKWRHXJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-18(12-16)11-13-8-9-17-15(10-13)14-6-4-3-5-7-14/h3-7,13,15,17H,2,8-11H2,1H3.
What are the key properties of ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide?
ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide has a molecular weight of 243.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(2-phenylpiperidin-4-yl)methyl]cyanamide is sourced from PubChem (CID 142484586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).