(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C15H28N2O3 — CID 82696323

IUPAC(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNC1CCCCCC1C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C15H28N2O3/c16-14-5-3-1-2-4-13(14)15(19)17-8-6-12(7-9-17)20-11-10-18/h12-14,18H,1-11,16H2
InChIKeyTYFVBAKVFYXSPQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.89
Rot. Bonds4

About (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82696323) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82696323
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNC1CCCCCC1C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C15H28N2O3/c16-14-5-3-1-2-4-13(14)15(19)17-8-6-12(7-9-17)20-11-10-18/h12-14,18H,1-11,16H2
InChIKeyTYFVBAKVFYXSPQ-UHFFFAOYSA-N
XLogP0.89
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695746
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696222
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone
CID 82691873
(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696679
2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 79615083
(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
[4-(2-hydroxyethoxy)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103899128
(2-aminocyclopentyl)-(3-propoxypiperidin-1-yl)methanone
CID 64822657
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82696323) is (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is NC1CCCCCC1C(=O)N1CCC(OCCO)CC1.
What is the InChIKey of (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is TYFVBAKVFYXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c16-14-5-3-1-2-4-13(14)15(19)17-8-6-12(7-9-17)20-11-10-18/h12-14,18H,1-11,16H2.
What are the key properties of (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82696323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).