[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone

C20H33N3O2 — CID 119520334

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone
SMILESCCN(CC)CCOc1ccc(C(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-4-22(5-2)14-15-25-19-8-6-18(7-9-19)20(24)23-12-10-17(11-13-23)16(3)21/h6-9,16-17H,4-5,10-15,21H2,1-3H3
InChIKeyMCISQJWRBUSSBR-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.61
Rot. Bonds8

About [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone (PubChem CID 119520334) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone
PubChem CID119520334
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone
SMILESCCN(CC)CCOc1ccc(C(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-4-22(5-2)14-15-25-19-8-6-18(7-9-19)20(24)23-12-10-17(11-13-23)16(3)21/h6-9,16-17H,4-5,10-15,21H2,1-3H3
InChIKeyMCISQJWRBUSSBR-UHFFFAOYSA-N
XLogP2.61
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
(3S)-1-[4-[2-(diethylamino)ethoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610415
[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119520348
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119638759
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone
CID 22567487
[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone
CID 119520336
[4-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-ethoxyphenyl)methanone;hydrochloride
CID 119518919
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254
[3-(1-aminoethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 115969439

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone (CID 119520334) is [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone is CCN(CC)CCOc1ccc(C(=O)N2CCC(C(C)N)CC2)cc1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone?
The InChIKey is MCISQJWRBUSSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-22(5-2)14-15-25-19-8-6-18(7-9-19)20(24)23-12-10-17(11-13-23)16(3)21/h6-9,16-17H,4-5,10-15,21H2,1-3H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone has a molecular weight of 347.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone is sourced from PubChem (CID 119520334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).