benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate

C18H27N3O2 — CID 170993979

IUPACbenzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(NC2CCNCC2)CC1
InChIInChI=1S/C18H27N3O2/c22-18(23-14-15-4-2-1-3-5-15)21-12-8-17(9-13-21)20-16-6-10-19-11-7-16/h1-5,16-17,19-20H,6-14H2
InChIKeyBYOOHMIXRAGWNN-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.13
Rot. Bonds4

About benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate

benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate (PubChem CID 170993979) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
PubChem CID170993979
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Namebenzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(NC2CCNCC2)CC1
InChIInChI=1S/C18H27N3O2/c22-18(23-14-15-4-2-1-3-5-15)21-12-8-17(9-13-21)20-16-6-10-19-11-7-16/h1-5,16-17,19-20H,6-14H2
InChIKeyBYOOHMIXRAGWNN-UHFFFAOYSA-N
XLogP2.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
CID 175852571
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate
CID 67214786
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine
CID 160872893
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
CID 166066135
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate (CID 170993979) is benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(NC2CCNCC2)CC1.
What is the InChIKey of benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate?
The InChIKey is BYOOHMIXRAGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(23-14-15-4-2-1-3-5-15)21-12-8-17(9-13-21)20-16-6-10-19-11-7-16/h1-5,16-17,19-20H,6-14H2.
What are the key properties of benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate?
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 170993979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).