benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate

C19H21IN2O2 — CID 165178384

IUPACbenzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate
SMILESO=C(OCc1ccccc1)N(c1ccccc1I)N1CCCCC1
InChIInChI=1S/C19H21IN2O2/c20-17-11-5-6-12-18(17)22(21-13-7-2-8-14-21)19(23)24-15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeySQSUINGEXHSGKI-UHFFFAOYSA-N
MW436.29 g/mol
LogP4.84
Rot. Bonds4

About benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate

benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate (PubChem CID 165178384) has the molecular formula C19H21IN2O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate
PubChem CID165178384
Molecular FormulaC19H21IN2O2
Molecular Weight436.29 g/mol
Exact Mass436.06
IUPAC Namebenzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate
SMILESO=C(OCc1ccccc1)N(c1ccccc1I)N1CCCCC1
InChIInChI=1S/C19H21IN2O2/c20-17-11-5-6-12-18(17)22(21-13-7-2-8-14-21)19(23)24-15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeySQSUINGEXHSGKI-UHFFFAOYSA-N
XLogP4.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-formyl-4-oxo-2-[phenylmethoxycarbonyl(pyrrolidin-1-yl)amino]butanoic acid
CID 170549753
benzyl piperidine-1-carboxylate
CID 158057698
benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
CID 133060158
2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
CID 173183282
benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate
CID 4712732
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl methylphosphanylformate
CID 146418354
benzyl N-[3-(azacyclotridec-1-yl)propyl]-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 11103740
2-[[2-[4-[(2-hydroxyethylamino)methyl]phenyl]acetyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
CID 173143108
2-[3-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]propanoylamino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
CID 173196455

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate?
The IUPAC name of benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate (CID 165178384) is benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate.
What is the SMILES notation for benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate?
The canonical SMILES for benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate is O=C(OCc1ccccc1)N(c1ccccc1I)N1CCCCC1.
What is the InChIKey of benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate?
The InChIKey is SQSUINGEXHSGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2/c20-17-11-5-6-12-18(17)22(21-13-7-2-8-14-21)19(23)24-15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2.
What are the key properties of benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate?
benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate has a molecular weight of 436.29 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate is sourced from PubChem (CID 165178384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).