(4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol

C17H34N2O2 — CID 22844605

IUPAC(4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol
SMILESCC1CCN(CC(O)C(O)[C@@H](N)CC2CCCCC2)CC1
InChIInChI=1S/C17H34N2O2/c1-13-7-9-19(10-8-13)12-16(20)17(21)15(18)11-14-5-3-2-4-6-14/h13-17,20-21H,2-12,18H2,1H3/t15-,16?,17?/m0/s1
InChIKeyIVPRPJMAWRCPOV-GTPINHCMSA-N
MW298.47 g/mol
LogP1.74
Rot. Bonds6

About (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol

(4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol (PubChem CID 22844605) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol.

Molecular Properties

Compound Name(4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol
PubChem CID22844605
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol
SMILESCC1CCN(CC(O)C(O)[C@@H](N)CC2CCCCC2)CC1
InChIInChI=1S/C17H34N2O2/c1-13-7-9-19(10-8-13)12-16(20)17(21)15(18)11-14-5-3-2-4-6-14/h13-17,20-21H,2-12,18H2,1H3/t15-,16?,17?/m0/s1
InChIKeyIVPRPJMAWRCPOV-GTPINHCMSA-N
XLogP1.74
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol?
The IUPAC name of (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol (CID 22844605) is (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol.
What is the SMILES notation for (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol?
The canonical SMILES for (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol is CC1CCN(CC(O)C(O)[C@@H](N)CC2CCCCC2)CC1.
What is the InChIKey of (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol?
The InChIKey is IVPRPJMAWRCPOV-GTPINHCMSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13-7-9-19(10-8-13)12-16(20)17(21)15(18)11-14-5-3-2-4-6-14/h13-17,20-21H,2-12,18H2,1H3/t15-,16?,17?/m0/s1.
What are the key properties of (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol?
(4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol has a molecular weight of 298.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidin-1-yl)pentane-2,3-diol is sourced from PubChem (CID 22844605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).