N-iodo-N-propylpiperidin-4-amine

C8H17IN2 — CID 156729290

IUPACN-iodo-N-propylpiperidin-4-amine
SMILESCCCN(I)C1CCNCC1
InChIInChI=1S/C8H17IN2/c1-2-7-11(9)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKeyWQFFBZGXTJQTMC-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.80
Rot. Bonds3

About N-iodo-N-propylpiperidin-4-amine

N-iodo-N-propylpiperidin-4-amine (PubChem CID 156729290) has the molecular formula C8H17IN2 and a molecular weight of 268.14 g/mol. Its IUPAC name is N-iodo-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-iodo-N-propylpiperidin-4-amine
PubChem CID156729290
Molecular FormulaC8H17IN2
Molecular Weight268.14 g/mol
Exact Mass268.04
IUPAC NameN-iodo-N-propylpiperidin-4-amine
SMILESCCCN(I)C1CCNCC1
InChIInChI=1S/C8H17IN2/c1-2-7-11(9)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKeyWQFFBZGXTJQTMC-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
(2R)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-2-carboxamide
CID 93326822
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid
CID 79896585
3,3-dimethyl-1-[piperidin-4-yl(propyl)amino]butan-2-one
CID 62030880

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-propylpiperidin-4-amine?
The IUPAC name of N-iodo-N-propylpiperidin-4-amine (CID 156729290) is N-iodo-N-propylpiperidin-4-amine.
What is the SMILES notation for N-iodo-N-propylpiperidin-4-amine?
The canonical SMILES for N-iodo-N-propylpiperidin-4-amine is CCCN(I)C1CCNCC1.
What is the InChIKey of N-iodo-N-propylpiperidin-4-amine?
The InChIKey is WQFFBZGXTJQTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN2/c1-2-7-11(9)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3.
What are the key properties of N-iodo-N-propylpiperidin-4-amine?
N-iodo-N-propylpiperidin-4-amine has a molecular weight of 268.14 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-propylpiperidin-4-amine is sourced from PubChem (CID 156729290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).