1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine

C18H29ClN2 — CID 79052033

IUPAC1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(C)(C)N1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-4-20-17(14-15-8-10-16(19)11-9-15)18(2,3)21-12-6-5-7-13-21/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyNFAAQYUYWIVSGB-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.13
Rot. Bonds6

About 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine

1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine (PubChem CID 79052033) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
PubChem CID79052033
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(C)(C)N1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-4-20-17(14-15-8-10-16(19)11-9-15)18(2,3)21-12-6-5-7-13-21/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyNFAAQYUYWIVSGB-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051283
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 103043966
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051250
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051277
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052180
N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine
CID 79045793

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine (CID 79052033) is 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine is CCNC(Cc1ccc(Cl)cc1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine?
The InChIKey is NFAAQYUYWIVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-20-17(14-15-8-10-16(19)11-9-15)18(2,3)21-12-6-5-7-13-21/h8-11,17,20H,4-7,12-14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine?
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine has a molecular weight of 308.90 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 79052033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).