5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol

C16H26N2O2 — CID 107707674

IUPAC5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
SMILESCCNCC1CCN(C(C)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-3-17-11-13-4-6-18(7-5-13)12(2)14-8-15(19)10-16(20)9-14/h8-10,12-13,17,19-20H,3-7,11H2,1-2H3
InChIKeyDNKXHQRMSHBDQP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds5

About 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol

5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol (PubChem CID 107707674) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
PubChem CID107707674
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
SMILESCCNCC1CCN(C(C)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-3-17-11-13-4-6-18(7-5-13)12(2)14-8-15(19)10-16(20)9-14/h8-10,12-13,17,19-20H,3-7,11H2,1-2H3
InChIKeyDNKXHQRMSHBDQP-UHFFFAOYSA-N
XLogP2.48
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(4-Methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol
CID 56824364
4-[[(1-Benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
Resorcinol, 2-(10-(ethylamino)-p-mentha-1,8-dien-3-yl)-5-pentyl-, (-)-(E)-
CID 44144789
3-(1,4-Dimethyl-3-propylpiperidin-2-yl)phenolato--hydrogen chlorido (1/1)
CID 71301272
Phenol, 3-(3-(1-methyl-3-propylpiperidinyl))-, hydrochloride
CID 71301393
3-[(1S)-1-(Methylamino)ethyl]phenol
CID 11495842
3-(Piperazin-2-yl)phenol
CID 16740779
2-[(6R)-6-[3-(ethylamino)prop-1-en-2-yl]-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 44281534
(1R,2S,3R,5R)-13-(benzylamino)-1-(3,5-dihydroxyphenyl)-2-(2-methylpropyl)tridecane-1,3,5-triol
CID 177371493
5-[(1R,2R,3R)-5-(benzylamino)-1,3-dihydroxy-2-(2-methylpropyl)pentyl]benzene-1,3-diol
CID 177371498
5-[(1R,2S,3R)-5-(benzylamino)-1,3-dihydroxy-2-(2-methylpropyl)pentyl]benzene-1,3-diol
CID 177639393
3-(Piperidin-2-yl)phenol hydrochloride
CID 115028551

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol (CID 107707674) is 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol is CCNCC1CCN(C(C)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol?
The InChIKey is DNKXHQRMSHBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-17-11-13-4-6-18(7-5-13)12(2)14-8-15(19)10-16(20)9-14/h8-10,12-13,17,19-20H,3-7,11H2,1-2H3.
What are the key properties of 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol?
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol has a molecular weight of 278.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).