1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine

C19H39N2O2P — CID 66678043

IUPAC1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine
SMILESCC(C)(C)COP(=O)(N1CCC(N2CCCCC2)CC1)C(C)(C)C
InChIInChI=1S/C19H39N2O2P/c1-18(2,3)16-23-24(22,19(4,5)6)21-14-10-17(11-15-21)20-12-8-7-9-13-20/h17H,7-16H2,1-6H3
InChIKeySMYFYNKKBVLYRD-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.99
Rot. Bonds4

About 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine

1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine (PubChem CID 66678043) has the molecular formula C19H39N2O2P and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine
PubChem CID66678043
Molecular FormulaC19H39N2O2P
Molecular Weight358.51 g/mol
Exact Mass358.27
IUPAC Name1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine
SMILESCC(C)(C)COP(=O)(N1CCC(N2CCCCC2)CC1)C(C)(C)C
InChIInChI=1S/C19H39N2O2P/c1-18(2,3)16-23-24(22,19(4,5)6)21-14-10-17(11-15-21)20-12-8-7-9-13-20/h17H,7-16H2,1-6H3
InChIKeySMYFYNKKBVLYRD-UHFFFAOYSA-N
XLogP4.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine
CID 66678177
(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid
CID 142800838
1-[4-(2,2-dimethylpropyl)cyclohexyl]piperidine
CID 158827184
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-piperidin-1-ylpiperidine
CID 56822093
1-cyclopropylpiperidine
CID 10909573
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
1-[2,2-dimethylpropoxy(ethyl)phosphoryl]piperidine-4-carbonitrile
CID 146602192
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride
CID 175068649

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine (CID 66678043) is 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine is CC(C)(C)COP(=O)(N1CCC(N2CCCCC2)CC1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine?
The InChIKey is SMYFYNKKBVLYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N2O2P/c1-18(2,3)16-23-24(22,19(4,5)6)21-14-10-17(11-15-21)20-12-8-7-9-13-20/h17H,7-16H2,1-6H3.
What are the key properties of 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine?
1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine has a molecular weight of 358.51 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 66678043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).