(2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine

C33H63N5 — CID 173214146

IUPAC(2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine
SMILESCCN1CCCC([C@@]2([C@@H]3CCCN(C(C)C)C3)C(C3CCCN(C)C3)CCCN2[C@@H]2CCCN(CC)C2)C1
InChIInChI=1S/C33H63N5/c1-6-35-19-9-14-29(24-35)33(30-15-10-21-37(25-30)27(3)4)32(28-13-8-18-34(5)23-28)17-12-22-38(33)31-16-11-20-36(7-2)26-31/h27-32H,6-26H2,1-5H3/t28?,29?,30-,31-,32?,33-/m1/s1
InChIKeyKXKYIKQSTWTKKG-HMDGTIEESA-N
MW529.90 g/mol
LogP5.12
Rot. Bonds7

About (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine

(2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine (PubChem CID 173214146) has the molecular formula C33H63N5 and a molecular weight of 529.90 g/mol. Its IUPAC name is (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine.

Molecular Properties

Compound Name(2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine
PubChem CID173214146
Molecular FormulaC33H63N5
Molecular Weight529.90 g/mol
Exact Mass529.51
IUPAC Name(2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine
SMILESCCN1CCCC([C@@]2([C@@H]3CCCN(C(C)C)C3)C(C3CCCN(C)C3)CCCN2[C@@H]2CCCN(CC)C2)C1
InChIInChI=1S/C33H63N5/c1-6-35-19-9-14-29(24-35)33(30-15-10-21-37(25-30)27(3)4)32(28-13-8-18-34(5)23-28)17-12-22-38(33)31-16-11-20-36(7-2)26-31/h27-32H,6-26H2,1-5H3/t28?,29?,30-,31-,32?,33-/m1/s1
InChIKeyKXKYIKQSTWTKKG-HMDGTIEESA-N
XLogP5.12
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.90
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine?
The IUPAC name of (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine (CID 173214146) is (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine.
What is the SMILES notation for (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine?
The canonical SMILES for (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine is CCN1CCCC([C@@]2([C@@H]3CCCN(C(C)C)C3)C(C3CCCN(C)C3)CCCN2[C@@H]2CCCN(CC)C2)C1.
What is the InChIKey of (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine?
The InChIKey is KXKYIKQSTWTKKG-HMDGTIEESA-N. The full InChI is InChI=1S/C33H63N5/c1-6-35-19-9-14-29(24-35)33(30-15-10-21-37(25-30)27(3)4)32(28-13-8-18-34(5)23-28)17-12-22-38(33)31-16-11-20-36(7-2)26-31/h27-32H,6-26H2,1-5H3/t28?,29?,30-,31-,32?,33-/m1/s1.
What are the key properties of (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine?
(2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine has a molecular weight of 529.90 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylpiperidin-3-yl)-1-[(3R)-1-ethylpiperidin-3-yl]-3-(1-methylpiperidin-3-yl)-2-[(3R)-1-propan-2-ylpiperidin-3-yl]piperidine is sourced from PubChem (CID 173214146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).