N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide

C19H29N3O — CID 111035250

IUPACN'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/CCCOCC2CC2)N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O/c1-3-8-18(9-4-1)21-19(22-13-5-2-6-14-22)20-12-7-15-23-16-17-10-11-17/h1,3-4,8-9,17H,2,5-7,10-16H2,(H,20,21)
InChIKeyKGPLHUIGJITGFT-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.76
Rot. Bonds7

About N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide

N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 111035250) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID111035250
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/CCCOCC2CC2)N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O/c1-3-8-18(9-4-1)21-19(22-13-5-2-6-14-22)20-12-7-15-23-16-17-10-11-17/h1,3-4,8-9,17H,2,5-7,10-16H2,(H,20,21)
InChIKeyKGPLHUIGJITGFT-UHFFFAOYSA-N
XLogP3.76
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 110018572
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
N'-[(1,1-dioxothian-4-yl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 109468009
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060
N'-cyclopropyl-N-phenylpiperidine-1-carboximidamide
CID 111024258
N'-[2-(benzylsulfamoyl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111062413
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 111065646
N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
CID 111097205
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide (CID 111035250) is N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide is c1ccc(N/C(=N/CCCOCC2CC2)N2CCCCC2)cc1.
What is the InChIKey of N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is KGPLHUIGJITGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-8-18(9-4-1)21-19(22-13-5-2-6-14-22)20-12-7-15-23-16-17-10-11-17/h1,3-4,8-9,17H,2,5-7,10-16H2,(H,20,21).
What are the key properties of N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide?
N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 315.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 111035250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).