N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide

C15H23N3 — CID 63177667

IUPACN'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
SMILESCC(CN1CCCCC1)/N=C(\N)c1ccccc1
InChIInChI=1S/C15H23N3/c1-13(12-18-10-6-3-7-11-18)17-15(16)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H2,16,17)
InChIKeyFWXOMLGHPBXVOY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.27
Rot. Bonds4

About N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide

N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide (PubChem CID 63177667) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
PubChem CID63177667
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
SMILESCC(CN1CCCCC1)/N=C(\N)c1ccccc1
InChIInChI=1S/C15H23N3/c1-13(12-18-10-6-3-7-11-18)17-15(16)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H2,16,17)
InChIKeyFWXOMLGHPBXVOY-UHFFFAOYSA-N
XLogP2.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
CID 63181616
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide
CID 63177549
2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 59851564
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide
CID 141290010
1-hydroxy-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidamide
CID 164938287
N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
CID 23272403
N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide
CID 55158629
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
CID 3078025

Frequently Asked Questions

What is the IUPAC name of N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide?
The IUPAC name of N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide (CID 63177667) is N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide is CC(CN1CCCCC1)/N=C(\N)c1ccccc1.
What is the InChIKey of N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide?
The InChIKey is FWXOMLGHPBXVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(12-18-10-6-3-7-11-18)17-15(16)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H2,16,17).
What are the key properties of N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide?
N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 63177667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).