1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine

C16H30N2O — CID 141050421

IUPAC1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCCCCCOC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O/c1(4-12-18-13-5-3-6-14-18)2-7-15-19-16-8-10-17-11-9-16/h3,5,16-17H,1-2,4,6-15H2
InChIKeyZFBMJRDGDXOBSO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.58
Rot. Bonds8

About 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine

1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine (PubChem CID 141050421) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine
PubChem CID141050421
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCCCCCOC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O/c1(4-12-18-13-5-3-6-14-18)2-7-15-19-16-8-10-17-11-9-16/h3,5,16-17H,1-2,4,6-15H2
InChIKeyZFBMJRDGDXOBSO-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-piperidin-4-yloxy-N,N-bis(prop-2-enyl)hexan-1-amine
CID 22279339
N-Methyl-6-[(piperidin-4-yl)oxy]-N-(prop-2-en-1-yl)hexan-1-amine
CID 22279367
N-cyclohex-2-en-1-yl-2-methyloxan-4-amine
CID 103911366
N-[2-(oxan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 105998923
5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 106314800
4-Hept-6-enoxypiperidine
CID 107007702
3-(1-Cyclohex-2-en-1-ylpiperidin-4-yl)oxypropan-1-amine
CID 113609082
1-(2-piperidin-4-yloxyethyl)-3,6-dihydro-2H-pyridine
CID 114410478
1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 114410607
4-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 114410822
N-cyclohex-2-en-1-yl-2,6-dimethyloxan-4-amine
CID 115908359
4-(Cyclohex-3-en-1-yloxy)piperidine
CID 165784369

Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine (CID 141050421) is 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine is C1=CCN(CCCCCCOC2CCNCC2)CC1.
What is the InChIKey of 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine?
The InChIKey is ZFBMJRDGDXOBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1(4-12-18-13-5-3-6-14-18)2-7-15-19-16-8-10-17-11-9-16/h3,5,16-17H,1-2,4,6-15H2.
What are the key properties of 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine?
1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine has a molecular weight of 266.43 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141050421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).