[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid

C19H32N4O3 — CID 68954443

IUPAC[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid
SMILESCN(C)CCOc1cccc(N(C)C)c1CN1CCC(NC(=O)O)CC1
InChIInChI=1S/C19H32N4O3/c1-21(2)12-13-26-18-7-5-6-17(22(3)4)16(18)14-23-10-8-15(9-11-23)20-19(24)25/h5-7,15,20H,8-14H2,1-4H3,(H,24,25)
InChIKeyDEBGLMKLDJFICQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.92
Rot. Bonds8

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

[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid (PubChem CID 68954443) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid
PubChem CID68954443
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid
SMILESCN(C)CCOc1cccc(N(C)C)c1CN1CCC(NC(=O)O)CC1
InChIInChI=1S/C19H32N4O3/c1-21(2)12-13-26-18-7-5-6-17(22(3)4)16(18)14-23-10-8-15(9-11-23)20-19(24)25/h5-7,15,20H,8-14H2,1-4H3,(H,24,25)
InChIKeyDEBGLMKLDJFICQ-UHFFFAOYSA-N
XLogP1.92
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid
CID 68953183
tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 58006150
tert-butyl N-[1-[[2-[2-(dimethylamino)ethyl-methylamino]-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 68952873
4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-2-N-[(1-methylimidazol-4-yl)methyl]quinazoline-2,4-diamine
CID 58006238
4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-2-N-(1H-1,2,4-triazol-5-ylmethyl)quinazoline-2,4-diamine
CID 58006242
2-N-[2-(4,5-dihydro-1,3-thiazol-2-yl)ethyl]-4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 70953469
4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-2-N-[2-(1H-imidazol-5-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 58006172
1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55960659
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
CID 58006279
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489592

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid (CID 68954443) is [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid is CN(C)CCOc1cccc(N(C)C)c1CN1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid?
The InChIKey is DEBGLMKLDJFICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-21(2)12-13-26-18-7-5-6-17(22(3)4)16(18)14-23-10-8-15(9-11-23)20-19(24)25/h5-7,15,20H,8-14H2,1-4H3,(H,24,25).
What are the key properties of [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid?
[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid has a molecular weight of 364.49 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68954443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).