[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid

C18H29N3O3 — CID 68953183

IUPAC[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid
SMILESCC(C)Oc1cccc(N(C)C)c1CN1CCC(NC(=O)O)CC1
InChIInChI=1S/C18H29N3O3/c1-13(2)24-17-7-5-6-16(20(3)4)15(17)12-21-10-8-14(9-11-21)19-18(22)23/h5-7,13-14,19H,8-12H2,1-4H3,(H,22,23)
InChIKeyNYBYUKAFPOEXDB-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.77
Rot. Bonds6

About [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid

[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid (PubChem CID 68953183) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid
PubChem CID68953183
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid
SMILESCC(C)Oc1cccc(N(C)C)c1CN1CCC(NC(=O)O)CC1
InChIInChI=1S/C18H29N3O3/c1-13(2)24-17-7-5-6-16(20(3)4)15(17)12-21-10-8-14(9-11-21)19-18(22)23/h5-7,13-14,19H,8-12H2,1-4H3,(H,22,23)
InChIKeyNYBYUKAFPOEXDB-UHFFFAOYSA-N
XLogP2.77
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid
CID 68954443
tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 58006150
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
tert-butyl N-[1-[[2-[2-(dimethylamino)ethyl-methylamino]-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 68952873
tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
CID 58006279
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 48957306
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid (CID 68953183) is [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid is CC(C)Oc1cccc(N(C)C)c1CN1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid?
The InChIKey is NYBYUKAFPOEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)24-17-7-5-6-16(20(3)4)15(17)12-21-10-8-14(9-11-21)19-18(22)23/h5-7,13-14,19H,8-12H2,1-4H3,(H,22,23).
What are the key properties of [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid?
[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid has a molecular weight of 335.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68953183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).