1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine

C16H24N2 — CID 143296745

IUPAC1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine
SMILESC=C/C=c1\c(=C/C)ccn1CCN1CCCCC1
InChIInChI=1S/C16H24N2/c1-3-8-16-15(4-2)9-12-18(16)14-13-17-10-6-5-7-11-17/h3-4,8-9,12H,1,5-7,10-11,13-14H2,2H3/b15-4-,16-8+
InChIKeyYTFCEBNOLOZDNO-IIINQHGSSA-N
MW244.38 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine

1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine (PubChem CID 143296745) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine
PubChem CID143296745
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine
SMILESC=C/C=c1\c(=C/C)ccn1CCN1CCCCC1
InChIInChI=1S/C16H24N2/c1-3-8-16-15(4-2)9-12-18(16)14-13-17-10-6-5-7-11-17/h3-4,8-9,12H,1,5-7,10-11,13-14H2,2H3/b15-4-,16-8+
InChIKeyYTFCEBNOLOZDNO-IIINQHGSSA-N
XLogP1.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
CID 134982821
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 134340833
N'-[2-[(Z)-hex-1-enyl]cyclopenten-1-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 13804632
1-(1-Cyclopenta-2,4-dien-1-ylideneethyl)piperidine
CID 86031429
6-Dimethylamino-piperidinofulvene
CID 138455233
1-[(3E)-5-methylhexa-1,3-dien-2-yl]piperidine
CID 11805332
1,7-Ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine
CID 20773083
Lithium 1-(3-methylbenzene-2-id-1-yl)piperidine
CID 57533291
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine
CID 59371108
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 59371110
1-Methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
CID 59887826
1-[(1-Methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine
CID 67815611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine (CID 143296745) is 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine is C=C/C=c1\c(=C/C)ccn1CCN1CCCCC1.
What is the InChIKey of 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine?
The InChIKey is YTFCEBNOLOZDNO-IIINQHGSSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-8-16-15(4-2)9-12-18(16)14-13-17-10-6-5-7-11-17/h3-4,8-9,12H,1,5-7,10-11,13-14H2,2H3/b15-4-,16-8+.
What are the key properties of 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine?
1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine has a molecular weight of 244.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine is sourced from PubChem (CID 143296745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).