1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine

C16H23IN2 — CID 43791309

IUPAC1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C2CC2)CC1)c1ccc(I)cc1
InChIInChI=1S/C16H23IN2/c1-12(13-2-4-14(17)5-3-13)18-15-8-10-19(11-9-15)16-6-7-16/h2-5,12,15-16,18H,6-11H2,1H3
InChIKeyORUALRKTUBSZGN-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.57
Rot. Bonds4

About 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine

1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine (PubChem CID 43791309) has the molecular formula C16H23IN2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
PubChem CID43791309
Molecular FormulaC16H23IN2
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C2CC2)CC1)c1ccc(I)cc1
InChIInChI=1S/C16H23IN2/c1-12(13-2-4-14(17)5-3-13)18-15-8-10-19(11-9-15)16-6-7-16/h2-5,12,15-16,18H,6-11H2,1H3
InChIKeyORUALRKTUBSZGN-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.57
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

1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
CID 43747046
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43747068
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
CID 43766193
4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791667
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43775452
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 43747094
1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine
CID 103776460
N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine (CID 43791309) is 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine is CC(NC1CCN(C2CC2)CC1)c1ccc(I)cc1.
What is the InChIKey of 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine?
The InChIKey is ORUALRKTUBSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2/c1-12(13-2-4-14(17)5-3-13)18-15-8-10-19(11-9-15)16-6-7-16/h2-5,12,15-16,18H,6-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine?
1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine has a molecular weight of 370.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43791309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).