4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide

C16H25N3 — CID 103496375

IUPAC4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C16H25N3/c1-12(2)14-7-9-19(10-8-14)11-13-3-5-15(6-4-13)16(17)18/h3-6,12,14H,7-11H2,1-2H3,(H3,17,18)
InChIKeyDFFMUGXOVNIMTM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.84
Rot. Bonds4

About 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide

4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 103496375) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID103496375
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C16H25N3/c1-12(2)14-7-9-19(10-8-14)11-13-3-5-15(6-4-13)16(17)18/h3-6,12,14H,7-11H2,1-2H3,(H3,17,18)
InChIKeyDFFMUGXOVNIMTM-UHFFFAOYSA-N
XLogP2.84
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
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

4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529
3-chloro-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102668001
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 61434714
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63170241
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 24700962

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 103496375) is 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is DFFMUGXOVNIMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)14-7-9-19(10-8-14)11-13-3-5-15(6-4-13)16(17)18/h3-6,12,14H,7-11H2,1-2H3,(H3,17,18).
What are the key properties of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide?
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 103496375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).