1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile

C9H14IN3 — CID 155472384

IUPAC1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile
SMILESN#CC1(NC2CCN(I)CC2)CC1
InChIInChI=1S/C9H14IN3/c10-13-5-1-8(2-6-13)12-9(7-11)3-4-9/h8,12H,1-6H2
InChIKeyTTYFGBAKXXWVQM-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.45
Rot. Bonds2

About 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile

1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile (PubChem CID 155472384) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile
PubChem CID155472384
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile
SMILESN#CC1(NC2CCN(I)CC2)CC1
InChIInChI=1S/C9H14IN3/c10-13-5-1-8(2-6-13)12-9(7-11)3-4-9/h8,12H,1-6H2
InChIKeyTTYFGBAKXXWVQM-UHFFFAOYSA-N
XLogP1.45
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.45
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

ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 144962935
4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
CID 28702853
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile
CID 167501163
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile
CID 114818329
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
3-(cyclopropylamino)azetidine-3-carbonitrile
CID 79308446
1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 112682393
3-(cyclohexylamino)thiolane-3-carbonitrile
CID 60997661
3-(cyclopropylamino)piperidine-3-carbonitrile
CID 79308453

Frequently Asked Questions

What is the IUPAC name of 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile (CID 155472384) is 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile is N#CC1(NC2CCN(I)CC2)CC1.
What is the InChIKey of 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile?
The InChIKey is TTYFGBAKXXWVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c10-13-5-1-8(2-6-13)12-9(7-11)3-4-9/h8,12H,1-6H2.
What are the key properties of 1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile?
1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile has a molecular weight of 291.14 g/mol, XLogP of 1.45, 2 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)amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 155472384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).