1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine

C18H25N3 — CID 70413421

IUPAC1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine
SMILESCCc1ccccc1N1CCC(Nn2cccc2C)CC1
InChIInChI=1S/C18H25N3/c1-3-16-8-4-5-9-18(16)20-13-10-17(11-14-20)19-21-12-6-7-15(21)2/h4-9,12,17,19H,3,10-11,13-14H2,1-2H3
InChIKeyRXNXUJFCPUQJKD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.57
Rot. Bonds4

About 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine

1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine (PubChem CID 70413421) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine
PubChem CID70413421
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine
SMILESCCc1ccccc1N1CCC(Nn2cccc2C)CC1
InChIInChI=1S/C18H25N3/c1-3-16-8-4-5-9-18(16)20-13-10-17(11-14-20)19-21-12-6-7-15(21)2/h4-9,12,17,19H,3,10-11,13-14H2,1-2H3
InChIKeyRXNXUJFCPUQJKD-UHFFFAOYSA-N
XLogP3.57
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841
1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 51105415
[1-(2-ethylphenyl)piperidin-4-yl]-pyrrol-1-ylcarbamic acid
CID 70414337
1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine
CID 117025017
N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513878
(3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine
CID 174552851
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid
CID 70170914
2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid
CID 22615450
5-(2-ethylphenyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117014346
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine?
The IUPAC name of 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine (CID 70413421) is 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine is CCc1ccccc1N1CCC(Nn2cccc2C)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine?
The InChIKey is RXNXUJFCPUQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-16-8-4-5-9-18(16)20-13-10-17(11-14-20)19-21-12-6-7-15(21)2/h4-9,12,17,19H,3,10-11,13-14H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine?
1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-(2-methylpyrrol-1-yl)piperidin-4-amine is sourced from PubChem (CID 70413421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).