1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine

C13H26IN3 — CID 166946144

IUPAC1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C2CCN(I)CC2)CC1
InChIInChI=1S/C13H26IN3/c1-2-7-15-12-3-8-16(9-4-12)13-5-10-17(14)11-6-13/h12-13,15H,2-11H2,1H3
InChIKeyPDQWPYCRXANLKK-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.26
Rot. Bonds4

About 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine

1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine (PubChem CID 166946144) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine
PubChem CID166946144
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC Name1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C2CCN(I)CC2)CC1
InChIInChI=1S/C13H26IN3/c1-2-7-15-12-3-8-16(9-4-12)13-5-10-17(14)11-6-13/h12-13,15H,2-11H2,1H3
InChIKeyPDQWPYCRXANLKK-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4'-Bipiperidine
CID 78607
1-(2-Piperidinylmethyl)piperidine
CID 254290
1-Methyl-4-(piperidin-4-yl)piperazine
CID 795707
N,N-Dimethylpiperidin-4-amine
CID 417391
1-Methyl-4-(methylamino)piperidine
CID 566323
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
1-Ethylpiperidin-4-amine
CID 3734990
1-(Piperidin-4-yl)piperazine
CID 15386099
1-(1-Methyl-4-piperidinyl)piperazine
CID 566324
N,N-diethylpiperidin-4-amine
CID 2758239
N,N-dipropylpiperidin-4-amine
CID 3824021
N-(Propan-2-yl)piperidin-4-amine
CID 22394351

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine (CID 166946144) is 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(C2CCN(I)CC2)CC1.
What is the InChIKey of 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine?
The InChIKey is PDQWPYCRXANLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26IN3/c1-2-7-15-12-3-8-16(9-4-12)13-5-10-17(14)11-6-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine?
1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine has a molecular weight of 351.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 166946144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).