4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine

C17H27NO — CID 117408603

IUPAC4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine
SMILESCOc1ccc(CC(C)(C)C)cc1C1CCNCC1
InChIInChI=1S/C17H27NO/c1-17(2,3)12-13-5-6-16(19-4)15(11-13)14-7-9-18-10-8-14/h5-6,11,14,18H,7-10,12H2,1-4H3
InChIKeyVXTBDNXYFXLRCX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds3

About 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine

4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine (PubChem CID 117408603) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine.

Molecular Properties

Compound Name4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine
PubChem CID117408603
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine
SMILESCOc1ccc(CC(C)(C)C)cc1C1CCNCC1
InChIInChI=1S/C17H27NO/c1-17(2,3)12-13-5-6-16(19-4)15(11-13)14-7-9-18-10-8-14/h5-6,11,14,18H,7-10,12H2,1-4H3
InChIKeyVXTBDNXYFXLRCX-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117371838
4-(5-tert-butyl-2-methoxyphenyl)azepane
CID 82302415
4-methoxy-3-piperidin-4-ylbenzaldehyde
CID 166844972
4-(2-methoxyphenyl)piperidine
CID 544738
methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
2,5-dimethoxy-4-piperidin-4-ylpyridine
CID 84687688
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
CID 117402861
4-[2-methoxy-5-(oxolan-3-yl)phenyl]piperidine
CID 117408137
N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
CID 117377485

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine?
The IUPAC name of 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine (CID 117408603) is 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine.
What is the SMILES notation for 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine?
The canonical SMILES for 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine is COc1ccc(CC(C)(C)C)cc1C1CCNCC1.
What is the InChIKey of 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine?
The InChIKey is VXTBDNXYFXLRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)12-13-5-6-16(19-4)15(11-13)14-7-9-18-10-8-14/h5-6,11,14,18H,7-10,12H2,1-4H3.
What are the key properties of 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine?
4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine is sourced from PubChem (CID 117408603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).