ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate

C18H27N3O2 — CID 3469280

IUPACethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-18(22)21-10-8-17(9-11-21)20-14-12-19(13-15-20)16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3
InChIKeyAGXMCCATPJQHMY-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.43
Rot. Bonds3

About ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate

ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate (PubChem CID 3469280) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
PubChem CID3469280
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nameethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-18(22)21-10-8-17(9-11-21)20-14-12-19(13-15-20)16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3
InChIKeyAGXMCCATPJQHMY-UHFFFAOYSA-N
XLogP2.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-[4-[2-(benzylamino)-2-oxoethyl]phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 26335358
ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 1151828
ethyl 4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate
CID 113074705
ethyl 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 45246994
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533744
ethyl 4-[(3R)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]piperazine-1-carboxylate
CID 29214380
ethyl 2-[[(3R)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533742
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate (CID 3469280) is ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate?
The InChIKey is AGXMCCATPJQHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-23-18(22)21-10-8-17(9-11-21)20-14-12-19(13-15-20)16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3.
What are the key properties of ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 3469280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).