N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine

C15H23IN2 — CID 65479012

IUPACN-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2ccc(I)cc2)CC1
InChIInChI=1S/C15H23IN2/c1-2-9-18-10-7-15(8-11-18)17-12-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeyDKWRQXPVJPHJCY-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.26
Rot. Bonds5

About N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine

N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine (PubChem CID 65479012) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
PubChem CID65479012
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC NameN-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2ccc(I)cc2)CC1
InChIInChI=1S/C15H23IN2/c1-2-9-18-10-7-15(8-11-18)17-12-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeyDKWRQXPVJPHJCY-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol
CID 103603286
N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane
CID 143221470
1-propyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 60664069
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
1-butyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 43748215
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine (CID 65479012) is N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2ccc(I)cc2)CC1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is DKWRQXPVJPHJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2/c1-2-9-18-10-7-15(8-11-18)17-12-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine?
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 358.27 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 65479012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).