1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine

C18H30N4O — CID 75268969

IUPAC1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine
SMILESCCN1CCCC(NCC2CNNC2c2ccc(OC)cc2)C1
InChIInChI=1S/C18H30N4O/c1-3-22-10-4-5-16(13-22)19-11-15-12-20-21-18(15)14-6-8-17(23-2)9-7-14/h6-9,15-16,18-21H,3-5,10-13H2,1-2H3
InChIKeyTVGYCGRAFGNKOP-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.53
Rot. Bonds6

About 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine

1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine (PubChem CID 75268969) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine
PubChem CID75268969
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine
SMILESCCN1CCCC(NCC2CNNC2c2ccc(OC)cc2)C1
InChIInChI=1S/C18H30N4O/c1-3-22-10-4-5-16(13-22)19-11-15-12-20-21-18(15)14-6-8-17(23-2)9-7-14/h6-9,15-16,18-21H,3-5,10-13H2,1-2H3
InChIKeyTVGYCGRAFGNKOP-UHFFFAOYSA-N
XLogP1.53
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61170965
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
4-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
CID 134127387
N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine
CID 62083631
methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 133267278

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine (CID 75268969) is 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine is CCN1CCCC(NCC2CNNC2c2ccc(OC)cc2)C1.
What is the InChIKey of 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine?
The InChIKey is TVGYCGRAFGNKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-22-10-4-5-16(13-22)19-11-15-12-20-21-18(15)14-6-8-17(23-2)9-7-14/h6-9,15-16,18-21H,3-5,10-13H2,1-2H3.
What are the key properties of 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine?
1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine has a molecular weight of 318.46 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 75268969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).