4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine

C19H31NO2 — CID 171431363

IUPAC4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine
SMILESCC(C)OCOc1ccc(CN2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H31NO2/c1-15(2)18-9-11-20(12-10-18)13-17-5-7-19(8-6-17)22-14-21-16(3)4/h5-8,15-16,18H,9-14H2,1-4H3
InChIKeyLQZYXVFLAWQUNT-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.32
Rot. Bonds7

About 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine

4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine (PubChem CID 171431363) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine
PubChem CID171431363
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine
SMILESCC(C)OCOc1ccc(CN2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H31NO2/c1-15(2)18-9-11-20(12-10-18)13-17-5-7-19(8-6-17)22-14-21-16(3)4/h5-8,15-16,18H,9-14H2,1-4H3
InChIKeyLQZYXVFLAWQUNT-UHFFFAOYSA-N
XLogP4.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-4-propan-2-ylpiperidine
CID 89411330
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043070
5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
CID 104870271
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine
CID 153390717
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine (CID 171431363) is 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine is CC(C)OCOc1ccc(CN2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine?
The InChIKey is LQZYXVFLAWQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15(2)18-9-11-20(12-10-18)13-17-5-7-19(8-6-17)22-14-21-16(3)4/h5-8,15-16,18H,9-14H2,1-4H3.
What are the key properties of 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine?
4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine has a molecular weight of 305.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 171431363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).