(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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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).