1-heptyl-4-methylpiperidine-4-carboximidamide

C14H29N3 — CID 107161963

IUPAC1-heptyl-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCCCCCC)CC1
InChIInChI=1S/C14H29N3/c1-3-4-5-6-7-10-17-11-8-14(2,9-12-17)13(15)16/h3-12H2,1-2H3,(H3,15,16)
InChIKeyQZNGELVGWSGMDJ-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.99
Rot. Bonds7

About 1-heptyl-4-methylpiperidine-4-carboximidamide

1-heptyl-4-methylpiperidine-4-carboximidamide (PubChem CID 107161963) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-heptyl-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-heptyl-4-methylpiperidine-4-carboximidamide
PubChem CID107161963
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-heptyl-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCCCCCC)CC1
InChIInChI=1S/C14H29N3/c1-3-4-5-6-7-10-17-11-8-14(2,9-12-17)13(15)16/h3-12H2,1-2H3,(H3,15,16)
InChIKeyQZNGELVGWSGMDJ-UHFFFAOYSA-N
XLogP2.99
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
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

4-methyl-1-nonylpiperidine-4-carboximidamide
CID 107162012
1-decyl-4-methylpiperidine-4-carboximidamide
CID 107162178
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
CID 107161954
1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161726
1-decyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161754
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
CID 114191294
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
1-hexyl-4,4-dimethylpiperidine
CID 18722930
4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide
CID 107162003
1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide
CID 107162078

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-heptyl-4-methylpiperidine-4-carboximidamide (CID 107161963) is 1-heptyl-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-heptyl-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-heptyl-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCCCCCC)CC1.
What is the InChIKey of 1-heptyl-4-methylpiperidine-4-carboximidamide?
The InChIKey is QZNGELVGWSGMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-4-5-6-7-10-17-11-8-14(2,9-12-17)13(15)16/h3-12H2,1-2H3,(H3,15,16).
What are the key properties of 1-heptyl-4-methylpiperidine-4-carboximidamide?
1-heptyl-4-methylpiperidine-4-carboximidamide has a molecular weight of 239.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).