(4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride

C15H28ClN3O2 — CID 172516437

IUPAC(4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride
SMILESCC1(/C(Cl)=N/OC[C@@H](O)CN2CCCCC2)CCNCC1
InChIInChI=1S/C15H28ClN3O2/c1-15(5-7-17-8-6-15)14(16)18-21-12-13(20)11-19-9-3-2-4-10-19/h13,17,20H,2-12H2,1H3/b18-14-/t13-/m0/s1
InChIKeyYRODVIHRHHHBFL-SSICXYGWSA-N
MW317.86 g/mol
LogP1.79
Rot. Bonds6

About (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride

(4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride (PubChem CID 172516437) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride.

Molecular Properties

Compound Name(4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride
PubChem CID172516437
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name(4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride
SMILESCC1(/C(Cl)=N/OC[C@@H](O)CN2CCCCC2)CCNCC1
InChIInChI=1S/C15H28ClN3O2/c1-15(5-7-17-8-6-15)14(16)18-21-12-13(20)11-19-9-3-2-4-10-19/h13,17,20H,2-12H2,1H3/b18-14-/t13-/m0/s1
InChIKeyYRODVIHRHHHBFL-SSICXYGWSA-N
XLogP1.79
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)thiophene-2-carboximidoyl chloride
CID 87474647
6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride
CID 171852943
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
CID 73432834
(1Z,2E,4Z)-2-ethenyl-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-nitrosopenta-2,4-dienimidoyl chloride
CID 167080244
(2S)-1-(azepan-1-yl)-3-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 100802838
1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
CID 110183081
N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride;dihydrochloride
CID 87879749
1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
CID 65282402
(Z,2E)-2-ethylidene-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-(methylamino)pent-3-enimidamide
CID 144530510
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-2H-quinoline-1-carboximidoyl chloride
CID 150474069
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
(2R)-1-cyclohexyloxy-3-piperazin-1-ylpropan-2-ol
CID 1132916

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride?
The IUPAC name of (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride (CID 172516437) is (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride.
What is the SMILES notation for (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride?
The canonical SMILES for (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride is CC1(/C(Cl)=N/OC[C@@H](O)CN2CCCCC2)CCNCC1.
What is the InChIKey of (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride?
The InChIKey is YRODVIHRHHHBFL-SSICXYGWSA-N. The full InChI is InChI=1S/C15H28ClN3O2/c1-15(5-7-17-8-6-15)14(16)18-21-12-13(20)11-19-9-3-2-4-10-19/h13,17,20H,2-12H2,1H3/b18-14-/t13-/m0/s1.
What are the key properties of (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride?
(4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride has a molecular weight of 317.86 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride is sourced from PubChem (CID 172516437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).