2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol

C17H30Cl2N2O2 — CID 167323452

IUPAC2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol
SMILESNC(C1CCN(C2CCOCC2)CC1)C1CC(Cl)C(Cl)CC1O
InChIInChI=1S/C17H30Cl2N2O2/c18-14-9-13(16(22)10-15(14)19)17(20)11-1-5-21(6-2-11)12-3-7-23-8-4-12/h11-17,22H,1-10,20H2
InChIKeyAODNFEOINCHPJT-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.19
Rot. Bonds3

About 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol

2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol (PubChem CID 167323452) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol.

Molecular Properties

Compound Name2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol
PubChem CID167323452
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol
SMILESNC(C1CCN(C2CCOCC2)CC1)C1CC(Cl)C(Cl)CC1O
InChIInChI=1S/C17H30Cl2N2O2/c18-14-9-13(16(22)10-15(14)19)17(20)11-1-5-21(6-2-11)12-3-7-23-8-4-12/h11-17,22H,1-10,20H2
InChIKeyAODNFEOINCHPJT-UHFFFAOYSA-N
XLogP2.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol?
The IUPAC name of 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol (CID 167323452) is 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol.
What is the SMILES notation for 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol?
The canonical SMILES for 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol is NC(C1CCN(C2CCOCC2)CC1)C1CC(Cl)C(Cl)CC1O.
What is the InChIKey of 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol?
The InChIKey is AODNFEOINCHPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30Cl2N2O2/c18-14-9-13(16(22)10-15(14)19)17(20)11-1-5-21(6-2-11)12-3-7-23-8-4-12/h11-17,22H,1-10,20H2.
What are the key properties of 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol?
2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol has a molecular weight of 365.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol is sourced from PubChem (CID 167323452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).