benzene;ethane;1-piperidin-2-ylethanol;propane

C18H35NO — CID 155698594

IUPACbenzene;ethane;1-piperidin-2-ylethanol;propane
SMILESCC.CC(O)C1CCCCN1.CCC.c1ccccc1
InChIInChI=1S/C7H15NO.C6H6.C3H8.C2H6/c1-6(9)7-4-2-3-5-8-7;1-2-4-6-5-3-1;1-3-2;1-2/h6-9H,2-5H2,1H3;1-6H;3H2,1-2H3;1-2H3
InChIKeyDWDUGCSGUVVXPX-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.64
Rot. Bonds1

About benzene;ethane;1-piperidin-2-ylethanol;propane

benzene;ethane;1-piperidin-2-ylethanol;propane (PubChem CID 155698594) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is benzene;ethane;1-piperidin-2-ylethanol;propane.

Molecular Properties

Compound Namebenzene;ethane;1-piperidin-2-ylethanol;propane
PubChem CID155698594
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Namebenzene;ethane;1-piperidin-2-ylethanol;propane
SMILESCC.CC(O)C1CCCCN1.CCC.c1ccccc1
InChIInChI=1S/C7H15NO.C6H6.C3H8.C2H6/c1-6(9)7-4-2-3-5-8-7;1-2-4-6-5-3-1;1-3-2;1-2/h6-9H,2-5H2,1H3;1-6H;3H2,1-2H3;1-2H3
InChIKeyDWDUGCSGUVVXPX-UHFFFAOYSA-N
XLogP4.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol
CID 10925178
2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride
CID 31540
Dienomycin C
CID 49831773
(2R,3S)-2-(2-phenylethyl)piperidin-3-ol
CID 11435671
1-Phenyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 86814964
(R)-2-[(R)-1-hydroxy-3-phenylpropyl]piperidine
CID 56652580
4-Phenyl-1-(propan-2-ylamino)butan-2-ol
CID 31541
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol
CID 44456589
(2S)-2-(hexadecylamino)-3-phenylpropan-1-ol
CID 44456858
N-Ethyl-2-amino-octadecan-1,3-diol benzeneboronate
CID 634441
(2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol
CID 101489626
(2S,3S,4R)-3-methyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]piperidin-4-ol
CID 10060348

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1-piperidin-2-ylethanol;propane?
The IUPAC name of benzene;ethane;1-piperidin-2-ylethanol;propane (CID 155698594) is benzene;ethane;1-piperidin-2-ylethanol;propane.
What is the SMILES notation for benzene;ethane;1-piperidin-2-ylethanol;propane?
The canonical SMILES for benzene;ethane;1-piperidin-2-ylethanol;propane is CC.CC(O)C1CCCCN1.CCC.c1ccccc1.
What is the InChIKey of benzene;ethane;1-piperidin-2-ylethanol;propane?
The InChIKey is DWDUGCSGUVVXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H6.C3H8.C2H6/c1-6(9)7-4-2-3-5-8-7;1-2-4-6-5-3-1;1-3-2;1-2/h6-9H,2-5H2,1H3;1-6H;3H2,1-2H3;1-2H3.
What are the key properties of benzene;ethane;1-piperidin-2-ylethanol;propane?
benzene;ethane;1-piperidin-2-ylethanol;propane has a molecular weight of 281.48 g/mol, XLogP of 4.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1-piperidin-2-ylethanol;propane is sourced from PubChem (CID 155698594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).